(3-chloro-4,5-dimethoxyphenyl)-cyclopentylmethanol

C14H19ClO3 — CID 54878443

IUPAC(3-chloro-4,5-dimethoxyphenyl)-cyclopentylmethanol
SMILESCOc1cc(C(O)C2CCCC2)cc(Cl)c1OC
InChIInChI=1S/C14H19ClO3/c1-17-12-8-10(7-11(15)14(12)18-2)13(16)9-5-3-4-6-9/h7-9,13,16H,3-6H2,1-2H3
InChIKeyXFDDEGQRPTXIJM-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.58
Rot. Bonds4

About (3-chloro-4,5-dimethoxyphenyl)-cyclopentylmethanol

(3-chloro-4,5-dimethoxyphenyl)-cyclopentylmethanol (PubChem CID 54878443) has the molecular formula C14H19ClO3 and a molecular weight of 270.76 g/mol. Its IUPAC name is (3-chloro-4,5-dimethoxyphenyl)-cyclopentylmethanol.

Molecular Properties

Compound Name(3-chloro-4,5-dimethoxyphenyl)-cyclopentylmethanol
PubChem CID54878443
Molecular FormulaC14H19ClO3
Molecular Weight270.76 g/mol
Exact Mass270.10
IUPAC Name(3-chloro-4,5-dimethoxyphenyl)-cyclopentylmethanol
SMILESCOc1cc(C(O)C2CCCC2)cc(Cl)c1OC
InChIInChI=1S/C14H19ClO3/c1-17-12-8-10(7-11(15)14(12)18-2)13(16)9-5-3-4-6-9/h7-9,13,16H,3-6H2,1-2H3
InChIKeyXFDDEGQRPTXIJM-UHFFFAOYSA-N
XLogP3.58
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-4,5-dimethoxyphenyl)-cycloheptylmethanol
CID 82931298
cyclohexyl-(3,4,5-trimethoxyphenyl)methanol
CID 63895814
(3-chloro-4,5-dimethoxyphenyl)-(oxolan-3-yl)methanol
CID 63563606
(4-chloro-3-methoxyphenyl)-cyclopentylmethanol
CID 79699326
(3-chloro-4-methoxyphenyl)-cycloheptylmethanol
CID 62590019
[1-(3-chloro-4,5-dimethoxyphenyl)-2-cyclopropylethyl]hydrazine
CID 105204535
(R)-cyclopentyl-(3,4,5-trimethoxyphenyl)methanamine;hydrochloride
CID 171199622
(S)-cyclopentyl-(3,4,5-trimethoxyphenyl)methanamine;hydrochloride
CID 171219149
1-(3-chloro-4,5-dimethoxyphenyl)but-3-en-1-ol
CID 61380155
cycloheptyl-(4-fluoro-3-methoxyphenyl)methanol
CID 115829463
2-(3-chloro-5-cyclopentyloxy-4-methoxyphenyl)-2-hydroxyacetic acid
CID 117484437
1-(3-chloro-4,5-dimethoxyphenyl)-2-cyclopropyl-N-methylethanamine
CID 64906585

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4,5-dimethoxyphenyl)-cyclopentylmethanol?
The IUPAC name of (3-chloro-4,5-dimethoxyphenyl)-cyclopentylmethanol (CID 54878443) is (3-chloro-4,5-dimethoxyphenyl)-cyclopentylmethanol.
What is the SMILES notation for (3-chloro-4,5-dimethoxyphenyl)-cyclopentylmethanol?
The canonical SMILES for (3-chloro-4,5-dimethoxyphenyl)-cyclopentylmethanol is COc1cc(C(O)C2CCCC2)cc(Cl)c1OC.
What is the InChIKey of (3-chloro-4,5-dimethoxyphenyl)-cyclopentylmethanol?
The InChIKey is XFDDEGQRPTXIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO3/c1-17-12-8-10(7-11(15)14(12)18-2)13(16)9-5-3-4-6-9/h7-9,13,16H,3-6H2,1-2H3.
What are the key properties of (3-chloro-4,5-dimethoxyphenyl)-cyclopentylmethanol?
(3-chloro-4,5-dimethoxyphenyl)-cyclopentylmethanol has a molecular weight of 270.76 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4,5-dimethoxyphenyl)-cyclopentylmethanol is sourced from PubChem (CID 54878443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).