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

C17H17ClO2 — CID 61082278

IUPAC(2-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol
SMILESCOc1ccc(C(O)c2ccc3c(c2)CCC3)c(Cl)c1
InChIInChI=1S/C17H17ClO2/c1-20-14-7-8-15(16(18)10-14)17(19)13-6-5-11-3-2-4-12(11)9-13/h5-10,17,19H,2-4H2,1H3
InChIKeyWRPDOZPVRQGPHS-UHFFFAOYSA-N
MW288.77 g/mol
LogP3.92
Rot. Bonds3

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

(2-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol (PubChem CID 61082278) has the molecular formula C17H17ClO2 and a molecular weight of 288.77 g/mol. Its IUPAC name is (2-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol.

Molecular Properties

Compound Name(2-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol
PubChem CID61082278
Molecular FormulaC17H17ClO2
Molecular Weight288.77 g/mol
Exact Mass288.09
IUPAC Name(2-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol
SMILESCOc1ccc(C(O)c2ccc3c(c2)CCC3)c(Cl)c1
InChIInChI=1S/C17H17ClO2/c1-20-14-7-8-15(16(18)10-14)17(19)13-6-5-11-3-2-4-12(11)9-13/h5-10,17,19H,2-4H2,1H3
InChIKeyWRPDOZPVRQGPHS-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

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Related Compounds

(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol
CID 115818011
5-[chloro-(4-methoxy-2-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 63430106
(2-chloro-4-methoxyphenyl)-(2-chlorophenyl)methanol
CID 61081100
5-[bromo-(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene
CID 63437562
1,3-dihydro-2-benzofuran-5-yl-(4-methoxy-2-methylphenyl)methanol
CID 63743179
5-[chloro-(2-chloro-4-methoxyphenyl)methyl]-1,3-dihydro-2-benzofuran
CID 63743696
(1R)-1-[3-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol
CID 63540494
2-[bromo-(2-chloro-4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene
CID 63443070
2-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-ol
CID 116863695
2,3-dihydro-1H-inden-5-yl-(2-methylsulfanylphenyl)methanol
CID 79217290
(3-bromo-4-chlorophenyl)-(2,4-dimethoxyphenyl)methanol
CID 115566318
2,3-dihydro-1H-inden-5-yl-(3,4-dimethylphenyl)methanol
CID 61101012

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol?
The IUPAC name of (2-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol (CID 61082278) is (2-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol.
What is the SMILES notation for (2-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol?
The canonical SMILES for (2-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol is COc1ccc(C(O)c2ccc3c(c2)CCC3)c(Cl)c1.
What is the InChIKey of (2-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol?
The InChIKey is WRPDOZPVRQGPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO2/c1-20-14-7-8-15(16(18)10-14)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 (2-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol?
(2-chloro-4-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 (2-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol is sourced from PubChem (CID 61082278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).