(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol

C17H17ClO2 — CID 115818011

IUPAC(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol
SMILESCOc1cc(C(O)c2ccc3c(c2)CCC3)ccc1Cl
InChIInChI=1S/C17H17ClO2/c1-20-16-10-14(7-8-15(16)18)17(19)13-6-5-11-3-2-4-12(11)9-13/h5-10,17,19H,2-4H2,1H3
InChIKeyMXBXTZMEEQQAOV-UHFFFAOYSA-N
MW288.77 g/mol
LogP3.92
Rot. Bonds3

About (4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol

(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol (PubChem CID 115818011) has the molecular formula C17H17ClO2 and a molecular weight of 288.77 g/mol. Its IUPAC name is (4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol.

Molecular Properties

Compound Name(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol
PubChem CID115818011
Molecular FormulaC17H17ClO2
Molecular Weight288.77 g/mol
Exact Mass288.09
IUPAC Name(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol
SMILESCOc1cc(C(O)c2ccc3c(c2)CCC3)ccc1Cl
InChIInChI=1S/C17H17ClO2/c1-20-16-10-14(7-8-15(16)18)17(19)13-6-5-11-3-2-4-12(11)9-13/h5-10,17,19H,2-4H2,1H3
InChIKeyMXBXTZMEEQQAOV-UHFFFAOYSA-N
XLogP3.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-chloro-3-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 115818050
(2-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol
CID 61082278
(4-chloro-3-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol
CID 79697124
2,3-dihydro-1H-inden-5-yl-(3,4-dimethylphenyl)methanol
CID 61101012
(3-bromo-5-chlorophenyl)-(4-chloro-3-methoxyphenyl)methanol
CID 107947631
2,3-dihydro-1H-inden-5-yl-(4-fluorophenyl)methanol
CID 61100715
(3-chloro-4-methoxyphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 63743010
2,3-dihydro-1H-inden-5-yl-(2-fluoro-6-methoxyphenyl)methanol
CID 65434633
2,3-dihydro-1H-inden-5-yl-(4-methylsulfanylphenyl)methanol
CID 79217216
(4-chloro-3-methoxyphenyl)-[4-(difluoromethoxy)phenyl]methanol
CID 79699607
(4-chloro-3-methoxyphenyl)-(3-chloro-5-methylphenyl)methanol
CID 115818074
(4-bromo-3-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol
CID 81437123

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol?
The IUPAC name of (4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol (CID 115818011) is (4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol.
What is the SMILES notation for (4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol?
The canonical SMILES for (4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol is COc1cc(C(O)c2ccc3c(c2)CCC3)ccc1Cl.
What is the InChIKey of (4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol?
The InChIKey is MXBXTZMEEQQAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO2/c1-20-16-10-14(7-8-15(16)18)17(19)13-6-5-11-3-2-4-12(11)9-13/h5-10,17,19H,2-4H2,1H3.
What are the key properties of (4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol?
(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol has a molecular weight of 288.77 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol is sourced from PubChem (CID 115818011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).