2-(3-methyl-2,3-dihydro-1H-inden-1-yl)phenol

C16H16O — CID 174602517

IUPAC2-(3-methyl-2,3-dihydro-1H-inden-1-yl)phenol
SMILESCC1CC(c2ccccc2O)c2ccccc21
InChIInChI=1S/C16H16O/c1-11-10-15(13-7-3-2-6-12(11)13)14-8-4-5-9-16(14)17/h2-9,11,15,17H,10H2,1H3
InChIKeyFHBXOAXKOXKEGE-UHFFFAOYSA-N
MW224.30 g/mol
LogP4.03
Rot. Bonds1

About 2-(3-methyl-2,3-dihydro-1H-inden-1-yl)phenol

2-(3-methyl-2,3-dihydro-1H-inden-1-yl)phenol (PubChem CID 174602517) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-(3-methyl-2,3-dihydro-1H-inden-1-yl)phenol.

Molecular Properties

Compound Name2-(3-methyl-2,3-dihydro-1H-inden-1-yl)phenol
PubChem CID174602517
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name2-(3-methyl-2,3-dihydro-1H-inden-1-yl)phenol
SMILESCC1CC(c2ccccc2O)c2ccccc21
InChIInChI=1S/C16H16O/c1-11-10-15(13-7-3-2-6-12(11)13)14-8-4-5-9-16(14)17/h2-9,11,15,17H,10H2,1H3
InChIKeyFHBXOAXKOXKEGE-UHFFFAOYSA-N
XLogP4.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-methyl-3-phenyl-2,3-dihydro-1H-indene
CID 163676750
(3S)-1,3-dimethyl-2,3-dihydro-1H-indene
CID 143951833
(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-ol
CID 640582
2-[(1S,2R)-2-methylcyclopropyl]phenol
CID 176896077
(1S,3R)-1-methyl-3-[2-[(1S)-1-phenylethyl]phenyl]-2,3-dihydro-1H-indene
CID 97304601
(1R,3R)-1-methyl-3-[2-[(1S)-1-phenylethyl]phenyl]-2,3-dihydro-1H-indene
CID 97304600
(1S,3S)-3-methyl-2,3-dihydro-1H-inden-1-amine
CID 28502914
(1R,3S)-1-(3,4-dichlorophenyl)-3-methyl-2,3-dihydro-1H-indene
CID 54553970
2,5-bis(2-hydroxyphenyl)cyclopentan-1-one
CID 18760303
2-[(1R)-2,3-dihydro-1H-inden-1-yl]phenol
CID 86317176
2-(2-hydroxyphenyl)cyclobutan-1-one
CID 14245733
3-methyl-2,3-dihydro-1H-indene-1-carbonitrile
CID 21040228

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2,3-dihydro-1H-inden-1-yl)phenol?
The IUPAC name of 2-(3-methyl-2,3-dihydro-1H-inden-1-yl)phenol (CID 174602517) is 2-(3-methyl-2,3-dihydro-1H-inden-1-yl)phenol.
What is the SMILES notation for 2-(3-methyl-2,3-dihydro-1H-inden-1-yl)phenol?
The canonical SMILES for 2-(3-methyl-2,3-dihydro-1H-inden-1-yl)phenol is CC1CC(c2ccccc2O)c2ccccc21.
What is the InChIKey of 2-(3-methyl-2,3-dihydro-1H-inden-1-yl)phenol?
The InChIKey is FHBXOAXKOXKEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O/c1-11-10-15(13-7-3-2-6-12(11)13)14-8-4-5-9-16(14)17/h2-9,11,15,17H,10H2,1H3.
What are the key properties of 2-(3-methyl-2,3-dihydro-1H-inden-1-yl)phenol?
2-(3-methyl-2,3-dihydro-1H-inden-1-yl)phenol has a molecular weight of 224.30 g/mol, XLogP of 4.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2,3-dihydro-1H-inden-1-yl)phenol is sourced from PubChem (CID 174602517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).