2-Methoxy-5-methyl-β-phenylbenzenepropanoic acid
Properties
- Molecular formula
- C17H18O3
- Molar mass
- 270.33 g/mol
- Exact mass
- 270.1256 Da
- Melting point
- 136–137 °C
- logP
- 3.61Crippen estimate
- Polar surface area
- 46.5 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 5
Hazards
Warning
- H315 Causes skin irritation50% of notifiers
- H317 May cause an allergic skin reaction50% of notifiers
- H319 Causes serious eye irritation50% of notifiers
Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P501
Identifiers
CAS number
109089-77-2SMILES
COc1ccc(C)cc1C(CC(=O)O)c1ccccc1InChIKey
KSLPLDLDQANKOD-UHFFFAOYSA-NInChI
InChI=1S/C17H18O3/c1-12-8-9-16(20-2)15(10-12)14(11-17(18)19)13-6-4-3-5-7-13/h3-10,14H,11H2,1-2H3,(H,18,19)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- Benzenepropanoic acid, 2-methoxy-5-methyl-β-phenyl-
- Hydrocinnamic acid, 2-methoxy-5-methyl-β-phenyl-
Work with 2-Methoxy-5-methyl-β-phenylbenzenepropanoic acid
Similar compounds
2-Methoxy-5-methyl-γ-phenylbenzenepropanol124937-73-163 % similar
3,4-Dihydro-6-methyl-4-phenyl-2H-1-benzopyran-2-one40546-94-961 % similar
2-Methoxy-5-methyl-n,n-bis(1-methylethyl)-gamma-phenylbenzenepropanamine fumarate124935-89-357 % similar
Diphenylpropionic acid606-83-753 % similar
3-Amino-3-(3-methylphenyl)propanoic acid68208-17-349 % similar
3-Amino-3-(3,4-dimethoxyphenyl)propanoic acid34840-85-247 % similar
3-Amino-3-(3,4-dimethoxyphenyl)propanoic acid34841-09-347 % similar
3-Phenylbutyric acid4593-90-245 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.