2-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)propan-1-ol

C15H21ClO3 — CID 117458643

IUPAC2-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)propan-1-ol
SMILESCOc1cc(C(C)CO)cc(Cl)c1OC1CCCC1
InChIInChI=1S/C15H21ClO3/c1-10(9-17)11-7-13(16)15(14(8-11)18-2)19-12-5-3-4-6-12/h7-8,10,12,17H,3-6,9H2,1-2H3
InChIKeyXFCLSGZUEKKSSE-UHFFFAOYSA-N
MW284.78 g/mol
LogP3.77
Rot. Bonds5

About 2-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)propan-1-ol

2-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)propan-1-ol (PubChem CID 117458643) has the molecular formula C15H21ClO3 and a molecular weight of 284.78 g/mol. Its IUPAC name is 2-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)propan-1-ol
PubChem CID117458643
Molecular FormulaC15H21ClO3
Molecular Weight284.78 g/mol
Exact Mass284.12
IUPAC Name2-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)propan-1-ol
SMILESCOc1cc(C(C)CO)cc(Cl)c1OC1CCCC1
InChIInChI=1S/C15H21ClO3/c1-10(9-17)11-7-13(16)15(14(8-11)18-2)19-12-5-3-4-6-12/h7-8,10,12,17H,3-6,9H2,1-2H3
InChIKeyXFCLSGZUEKKSSE-UHFFFAOYSA-N
XLogP3.77
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.78
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)propan-1-ol 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

2-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)propan-1-ol
CID 117485134
3-chloro-4-cyclopentyloxy-5-methoxyphenol
CID 84703480
2-amino-1-(3-chloro-4-cyclopropyloxy-5-methoxyphenyl)ethanol
CID 117397818
2-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)propan-1-ol
CID 117458641
3-chloro-4-cyclopentyloxy-5-methoxybenzoic acid
CID 894048
O-[(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)methyl]hydroxylamine
CID 117432318
(3-chloro-4,5-dimethoxyphenyl)-cycloheptylmethanol
CID 82931298
2-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)-2-oxoacetic acid
CID 117481061
4-amino-4-(3-chloro-4-cyclopropyloxy-5-methoxyphenyl)butanoic acid
CID 117482648
(3-chloro-4,5-dimethoxyphenyl)-cyclopentylmethanol
CID 54878443
2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-ol
CID 117353314
2-amino-2-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)ethanol
CID 117460411

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)propan-1-ol?
The IUPAC name of 2-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)propan-1-ol (CID 117458643) is 2-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 2-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)propan-1-ol?
The canonical SMILES for 2-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)propan-1-ol is COc1cc(C(C)CO)cc(Cl)c1OC1CCCC1.
What is the InChIKey of 2-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)propan-1-ol?
The InChIKey is XFCLSGZUEKKSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO3/c1-10(9-17)11-7-13(16)15(14(8-11)18-2)19-12-5-3-4-6-12/h7-8,10,12,17H,3-6,9H2,1-2H3.
What are the key properties of 2-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)propan-1-ol?
2-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)propan-1-ol has a molecular weight of 284.78 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 117458643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).