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

C15H21ClO3 — CID 117458641

IUPAC2-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)propan-1-ol
SMILESCOc1cc(C(C)CO)c(Cl)cc1OC1CCCC1
InChIInChI=1S/C15H21ClO3/c1-10(9-17)12-7-14(18-2)15(8-13(12)16)19-11-5-3-4-6-11/h7-8,10-11,17H,3-6,9H2,1-2H3
InChIKeyFNSZOXGJPBXBGE-UHFFFAOYSA-N
MW284.78 g/mol
LogP3.77
Rot. Bonds5

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

2-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)propan-1-ol (PubChem CID 117458641) has the molecular formula C15H21ClO3 and a molecular weight of 284.78 g/mol. Its IUPAC name is 2-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)propan-1-ol
PubChem CID117458641
Molecular FormulaC15H21ClO3
Molecular Weight284.78 g/mol
Exact Mass284.12
IUPAC Name2-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)propan-1-ol
SMILESCOc1cc(C(C)CO)c(Cl)cc1OC1CCCC1
InChIInChI=1S/C15H21ClO3/c1-10(9-17)12-7-14(18-2)15(8-13(12)16)19-11-5-3-4-6-11/h7-8,10-11,17H,3-6,9H2,1-2H3
InChIKeyFNSZOXGJPBXBGE-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

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Related Compounds

1-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)ethanol
CID 117429947
2-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)propan-1-ol
CID 117458643
2-(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)propan-1-amine
CID 117499903
5-chloro-2-(1-hydroxypropan-2-yl)-4-methoxyphenol
CID 68794132
2-amino-3-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)propanoic acid
CID 117482696
4-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)butan-1-amine
CID 117479607
3-(2-chloro-4,5-dimethoxyphenyl)butanoic acid
CID 83959363
(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)methyl-[(1S)-1-phenylethyl]azanium
CID 7454850
2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-ol
CID 117353314
1-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)-2-methylpropan-2-amine
CID 117456463
2-[(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)methyl]pyrrolidine
CID 117494580
2-(5-cyclopentyl-2-methoxyphenyl)propan-1-ol
CID 117341035

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)propan-1-ol?
The IUPAC name of 2-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)propan-1-ol (CID 117458641) is 2-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 2-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)propan-1-ol?
The canonical SMILES for 2-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)propan-1-ol is COc1cc(C(C)CO)c(Cl)cc1OC1CCCC1.
What is the InChIKey of 2-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)propan-1-ol?
The InChIKey is FNSZOXGJPBXBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO3/c1-10(9-17)12-7-14(18-2)15(8-13(12)16)19-11-5-3-4-6-11/h7-8,10-11,17H,3-6,9H2,1-2H3.
What are the key properties of 2-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)propan-1-ol?
2-(2-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-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 117458641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).