Fluorenol

CAS: 1689-64-1 | C13H10O

2D Structure

Loading 3D structure...

CAS Registry Number

1689-64-1

SMILES

OC1c2ccccc2-c2ccccc21

InChI Key

AFMVESZOYKHDBJ-UHFFFAOYSA-N

InChI

InChI=1S/C13H10O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13-14H

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	182.22 g/mol	CAS Common Chemistry
	182.222 g/mol	RDKit
Wikipedia Url	https://en.wikipedia.org/wiki/Fluorenol	CAS Common Chemistry
Canonical SMILES	OC1C=2C=CC=CC2C=3C=CC=CC31	CAS Common Chemistry
InChI	InChI=1S/C13H10O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13-14H	CAS Common Chemistry
InChI Key	InChIKey=AFMVESZOYKHDBJ-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	153.5 °C	CAS Common Chemistry
Name	Fluoren-9-ol	CAS Common Chemistry
	Fluorenol	CAS Common Chemistry
Heavy Atom Count	14	RDKit
Hydrogen Bond Acceptors	1	RDKit
Hydrogen Bond Donors	1	RDKit
Rotatable Bonds	0	RDKit
Aromatic Ring Count	2	RDKit
Topological Polar Surface Area	20.23 Å²	RDKit
LogP	2.7487000000000013	RDKit
	2.7487	RDKit
Molar Refractivity	55.93980000000003 cm³/mol	RDKit
Ring Count	3	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.0769	RDKit
	0.08	chempirical lib
Exact Mass	182.07316494 g/mol	RDKit

NMR, IR, and Mass spectral data

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

Other compounds with formula C13H10O.