1-(3-chloro-4-cyclopentyloxyphenyl)propan-2-ol

C14H19ClO2 — CID 115005691

IUPAC1-(3-chloro-4-cyclopentyloxyphenyl)propan-2-ol
SMILESCC(O)Cc1ccc(OC2CCCC2)c(Cl)c1
InChIInChI=1S/C14H19ClO2/c1-10(16)8-11-6-7-14(13(15)9-11)17-12-4-2-3-5-12/h6-7,9-10,12,16H,2-5,8H2,1H3
InChIKeyPPUPLXUQZHGZDK-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.58
Rot. Bonds4

About 1-(3-chloro-4-cyclopentyloxyphenyl)propan-2-ol

1-(3-chloro-4-cyclopentyloxyphenyl)propan-2-ol (PubChem CID 115005691) has the molecular formula C14H19ClO2 and a molecular weight of 254.76 g/mol. Its IUPAC name is 1-(3-chloro-4-cyclopentyloxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(3-chloro-4-cyclopentyloxyphenyl)propan-2-ol
PubChem CID115005691
Molecular FormulaC14H19ClO2
Molecular Weight254.76 g/mol
Exact Mass254.11
IUPAC Name1-(3-chloro-4-cyclopentyloxyphenyl)propan-2-ol
SMILESCC(O)Cc1ccc(OC2CCCC2)c(Cl)c1
InChIInChI=1S/C14H19ClO2/c1-10(16)8-11-6-7-14(13(15)9-11)17-12-4-2-3-5-12/h6-7,9-10,12,16H,2-5,8H2,1H3
InChIKeyPPUPLXUQZHGZDK-UHFFFAOYSA-N
XLogP3.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-4-cyclobutyloxyphenyl)-2-methylpropanoic acid
CID 117425393
1-[3-chloro-4-(thiolan-3-yloxy)phenyl]propan-2-ol
CID 115005752
1-(4-cyclopentyloxyphenyl)propan-2-ol
CID 80502782
N-[(3-chloro-4-cyclohexyloxyphenyl)methyl]propan-1-amine
CID 63499759
1-(4-cyclobutyloxyphenyl)propan-2-ol
CID 117295049
1-[3-chloro-4-(thian-3-yloxy)phenyl]propan-2-amine
CID 117460477
N-[(3-chloro-4-cycloheptyloxyphenyl)methyl]-2-methylpropan-2-amine
CID 82927497
(1S)-1-(3-chloro-4-cyclopentyloxyphenyl)ethanamine
CID 78937707
3-(3-chloro-4-cyclobutyloxyphenyl)-2,2-dimethylpropanoic acid
CID 117454433
1-(3-chloro-4-cyclopropylphenyl)propan-2-ol
CID 117300896
4-[(3-chloro-4-cyclopentyloxyphenyl)methyl]piperidine
CID 117474203
1-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-ol
CID 115005708

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-cyclopentyloxyphenyl)propan-2-ol?
The IUPAC name of 1-(3-chloro-4-cyclopentyloxyphenyl)propan-2-ol (CID 115005691) is 1-(3-chloro-4-cyclopentyloxyphenyl)propan-2-ol.
What is the SMILES notation for 1-(3-chloro-4-cyclopentyloxyphenyl)propan-2-ol?
The canonical SMILES for 1-(3-chloro-4-cyclopentyloxyphenyl)propan-2-ol is CC(O)Cc1ccc(OC2CCCC2)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-cyclopentyloxyphenyl)propan-2-ol?
The InChIKey is PPUPLXUQZHGZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO2/c1-10(16)8-11-6-7-14(13(15)9-11)17-12-4-2-3-5-12/h6-7,9-10,12,16H,2-5,8H2,1H3.
What are the key properties of 1-(3-chloro-4-cyclopentyloxyphenyl)propan-2-ol?
1-(3-chloro-4-cyclopentyloxyphenyl)propan-2-ol has a molecular weight of 254.76 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-cyclopentyloxyphenyl)propan-2-ol is sourced from PubChem (CID 115005691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).