(3-chloro-4-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanol

C17H17ClO — CID 107560051

IUPAC(3-chloro-4-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanol
SMILESCc1ccc(C(O)C2Cc3ccccc3C2)cc1Cl
InChIInChI=1S/C17H17ClO/c1-11-6-7-14(10-16(11)18)17(19)15-8-12-4-2-3-5-13(12)9-15/h2-7,10,15,17,19H,8-9H2,1H3
InChIKeyHUFVYGIMVPNZCS-UHFFFAOYSA-N
MW272.78 g/mol
LogP4.10
Rot. Bonds2

About (3-chloro-4-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanol

(3-chloro-4-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanol (PubChem CID 107560051) has the molecular formula C17H17ClO and a molecular weight of 272.78 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanol.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanol
PubChem CID107560051
Molecular FormulaC17H17ClO
Molecular Weight272.78 g/mol
Exact Mass272.10
IUPAC Name(3-chloro-4-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanol
SMILESCc1ccc(C(O)C2Cc3ccccc3C2)cc1Cl
InChIInChI=1S/C17H17ClO/c1-11-6-7-14(10-16(11)18)17(19)15-8-12-4-2-3-5-13(12)9-15/h2-7,10,15,17,19H,8-9H2,1H3
InChIKeyHUFVYGIMVPNZCS-UHFFFAOYSA-N
XLogP4.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dihydro-1H-inden-2-yl-(3-fluoro-4-methylphenyl)methanol
CID 107128521
(3-chloro-4-methylphenyl)-(2,3-dihydro-1H-indol-2-yl)methanol
CID 106818099
(3-chloro-4-methylphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol
CID 107559711
3,4-dihydro-2H-chromen-3-yl-(3,4-dimethylphenyl)methanol
CID 65412330
2,3-dihydro-1H-inden-2-yl-(4-methoxyphenyl)methanol
CID 65410577
2,3-dihydro-1H-inden-2-yl-(2,4-dimethylphenyl)methanol
CID 65410977
(2-chloro-4,5-dimethylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine
CID 106892808
(S)-(3-chloro-4-methylphenyl)-cyclopentylmethanamine
CID 131581688
1-(3-chloro-4-methylphenyl)-2-cyclopropyl-2-methoxyethanol
CID 107560146
1-(3-chloro-4-methylphenyl)-2-cycloheptylethanol
CID 107562179
(1R,2S)-2-amino-2-(3-chloro-4-methylphenyl)-1-cyclohexylethanol
CID 171267974
(S)-(3-chloro-4-methylphenyl)-cyclobutylmethanamine;hydrochloride
CID 171224005

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanol?
The IUPAC name of (3-chloro-4-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanol (CID 107560051) is (3-chloro-4-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanol.
What is the SMILES notation for (3-chloro-4-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanol?
The canonical SMILES for (3-chloro-4-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanol is Cc1ccc(C(O)C2Cc3ccccc3C2)cc1Cl.
What is the InChIKey of (3-chloro-4-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanol?
The InChIKey is HUFVYGIMVPNZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO/c1-11-6-7-14(10-16(11)18)17(19)15-8-12-4-2-3-5-13(12)9-15/h2-7,10,15,17,19H,8-9H2,1H3.
What are the key properties of (3-chloro-4-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanol?
(3-chloro-4-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanol has a molecular weight of 272.78 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanol is sourced from PubChem (CID 107560051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).