1-(3-chlorophenoxy)pentan-2-ol

C11H15ClO2 — CID 105083098

IUPAC1-(3-chlorophenoxy)pentan-2-ol
SMILESCCCC(O)COc1cccc(Cl)c1
InChIInChI=1S/C11H15ClO2/c1-2-4-10(13)8-14-11-6-3-5-9(12)7-11/h3,5-7,10,13H,2,4,8H2,1H3
InChIKeySHINYDFLWVQQGQ-UHFFFAOYSA-N
MW214.69 g/mol
LogP2.88
Rot. Bonds5

About 1-(3-chlorophenoxy)pentan-2-ol

1-(3-chlorophenoxy)pentan-2-ol (PubChem CID 105083098) has the molecular formula C11H15ClO2 and a molecular weight of 214.69 g/mol. Its IUPAC name is 1-(3-chlorophenoxy)pentan-2-ol.

Molecular Properties

Compound Name1-(3-chlorophenoxy)pentan-2-ol
PubChem CID105083098
Molecular FormulaC11H15ClO2
Molecular Weight214.69 g/mol
Exact Mass214.08
IUPAC Name1-(3-chlorophenoxy)pentan-2-ol
SMILESCCCC(O)COc1cccc(Cl)c1
InChIInChI=1S/C11H15ClO2/c1-2-4-10(13)8-14-11-6-3-5-9(12)7-11/h3,5-7,10,13H,2,4,8H2,1H3
InChIKeySHINYDFLWVQQGQ-UHFFFAOYSA-N
XLogP2.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.69
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenoxy)undecan-2-ol
CID 105084879
1-(3-chlorophenoxy)-4-methoxybutan-2-ol
CID 117236754
1-(3-chlorophenoxy)-3-ethoxypropan-2-ol
CID 112555016
(2R)-1-(3-bromophenoxy)pentan-2-ol
CID 159297241
1-(3-chlorophenoxy)-4,4,4-trifluorobutan-2-ol
CID 167854837
2-(3-chlorophenoxy)-1-(3-ethoxyphenyl)ethanol
CID 105119515
1-(3-chlorophenoxy)-3-(4-propan-2-ylphenyl)propan-2-ol
CID 105088994
1-chloro-3-(2-methylbutoxy)benzene
CID 64764370
1-(3-chlorophenoxy)-3-(3,4-dimethylphenyl)propan-2-ol
CID 105081897
3-(3-chlorophenoxy)-2-methylpropan-1-ol
CID 82076436
2-(3-chlorophenoxy)-1-(3-chlorophenyl)ethanol
CID 115766354
1-(3-chlorophenoxy)-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-ol
CID 105109087

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenoxy)pentan-2-ol?
The IUPAC name of 1-(3-chlorophenoxy)pentan-2-ol (CID 105083098) is 1-(3-chlorophenoxy)pentan-2-ol.
What is the SMILES notation for 1-(3-chlorophenoxy)pentan-2-ol?
The canonical SMILES for 1-(3-chlorophenoxy)pentan-2-ol is CCCC(O)COc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenoxy)pentan-2-ol?
The InChIKey is SHINYDFLWVQQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO2/c1-2-4-10(13)8-14-11-6-3-5-9(12)7-11/h3,5-7,10,13H,2,4,8H2,1H3.
What are the key properties of 1-(3-chlorophenoxy)pentan-2-ol?
1-(3-chlorophenoxy)pentan-2-ol has a molecular weight of 214.69 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenoxy)pentan-2-ol is sourced from PubChem (CID 105083098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).