1-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)ethanol

C14H19ClO3 — CID 117429947

IUPAC1-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)ethanol
SMILESCOc1cc(C(C)O)c(Cl)cc1OC1CCCC1
InChIInChI=1S/C14H19ClO3/c1-9(16)11-7-13(17-2)14(8-12(11)15)18-10-5-3-4-6-10/h7-10,16H,3-6H2,1-2H3
InChIKeyIHNRYXORCRBNKP-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.72
Rot. Bonds4

About 1-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)ethanol

1-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)ethanol (PubChem CID 117429947) has the molecular formula C14H19ClO3 and a molecular weight of 270.76 g/mol. Its IUPAC name is 1-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)ethanol
PubChem CID117429947
Molecular FormulaC14H19ClO3
Molecular Weight270.76 g/mol
Exact Mass270.10
IUPAC Name1-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)ethanol
SMILESCOc1cc(C(C)O)c(Cl)cc1OC1CCCC1
InChIInChI=1S/C14H19ClO3/c1-9(16)11-7-13(17-2)14(8-12(11)15)18-10-5-3-4-6-10/h7-10,16H,3-6H2,1-2H3
InChIKeyIHNRYXORCRBNKP-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)propan-1-ol
CID 117458641
1-(4-cyclopentyloxy-3-methoxyphenyl)ethanol
CID 43503851
4-chloro-5-(1-hydroxyethyl)-2-methoxyphenol
CID 84671120
1-(2-cyclopentyloxy-4-methylphenyl)ethanol
CID 63650282
2-amino-3-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)propanoic acid
CID 117482696
(1S)-1-(2-cycloheptyloxy-4-methylphenyl)ethanol
CID 82928224
4-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)butan-1-amine
CID 117479607
1-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117478084
(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)methyl-[(1S)-1-phenylethyl]azanium
CID 7454850
1-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117495558
(1S)-1-(5-chloro-2-cyclopropyloxyphenyl)ethanol
CID 130562903
1-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)-2-methylpropan-2-amine
CID 117456463

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)ethanol?
The IUPAC name of 1-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)ethanol (CID 117429947) is 1-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)ethanol?
The canonical SMILES for 1-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)ethanol is COc1cc(C(C)O)c(Cl)cc1OC1CCCC1.
What is the InChIKey of 1-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)ethanol?
The InChIKey is IHNRYXORCRBNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO3/c1-9(16)11-7-13(17-2)14(8-12(11)15)18-10-5-3-4-6-10/h7-10,16H,3-6H2,1-2H3.
What are the key properties of 1-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)ethanol?
1-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)ethanol has a molecular weight of 270.76 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)ethanol is sourced from PubChem (CID 117429947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).