1-(3-chloro-4-hydroxyphenyl)pentan-3-one

C11H13ClO2 — CID 154645816

IUPAC1-(3-chloro-4-hydroxyphenyl)pentan-3-one
SMILESCCC(=O)CCc1ccc(O)c(Cl)c1
InChIInChI=1S/C11H13ClO2/c1-2-9(13)5-3-8-4-6-11(14)10(12)7-8/h4,6-7,14H,2-3,5H2,1H3
InChIKeyGXTNFDUCMDYFGU-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.96
Rot. Bonds4

About 1-(3-chloro-4-hydroxyphenyl)pentan-3-one

1-(3-chloro-4-hydroxyphenyl)pentan-3-one (PubChem CID 154645816) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 1-(3-chloro-4-hydroxyphenyl)pentan-3-one.

Molecular Properties

Compound Name1-(3-chloro-4-hydroxyphenyl)pentan-3-one
PubChem CID154645816
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name1-(3-chloro-4-hydroxyphenyl)pentan-3-one
SMILESCCC(=O)CCc1ccc(O)c(Cl)c1
InChIInChI=1S/C11H13ClO2/c1-2-9(13)5-3-8-4-6-11(14)10(12)7-8/h4,6-7,14H,2-3,5H2,1H3
InChIKeyGXTNFDUCMDYFGU-UHFFFAOYSA-N
XLogP2.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 21648
2-Chloro-4-Phenylphenol
CID 7074
3-Chloro-4-hydroxyphenylacetic acid
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3,3'-Dichlorobisphenol A
CID 66238
2-Chloro-4-methylphenol
CID 14851
2-Chloro-4-nonylphenol
CID 43176
4-tert-Butyl-2-chlorophenol
CID 7380
4-Benzyl-2-chlorophenol
CID 95094
Methyl 3-chloro-4-hydroxyphenylacetate
CID 92625
3-Chloro-4-hydroxyphenylacetamide
CID 15038375
2-Chloro-4-(1,1,3,3-tetramethylbutyl)phenol
CID 28396
1-(3-Chloro-4-hydroxyphenyl)ethanone
CID 1051514

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-hydroxyphenyl)pentan-3-one?
The IUPAC name of 1-(3-chloro-4-hydroxyphenyl)pentan-3-one (CID 154645816) is 1-(3-chloro-4-hydroxyphenyl)pentan-3-one.
What is the SMILES notation for 1-(3-chloro-4-hydroxyphenyl)pentan-3-one?
The canonical SMILES for 1-(3-chloro-4-hydroxyphenyl)pentan-3-one is CCC(=O)CCc1ccc(O)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-hydroxyphenyl)pentan-3-one?
The InChIKey is GXTNFDUCMDYFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-2-9(13)5-3-8-4-6-11(14)10(12)7-8/h4,6-7,14H,2-3,5H2,1H3.
What are the key properties of 1-(3-chloro-4-hydroxyphenyl)pentan-3-one?
1-(3-chloro-4-hydroxyphenyl)pentan-3-one has a molecular weight of 212.68 g/mol, XLogP of 2.96, 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-hydroxyphenyl)pentan-3-one is sourced from PubChem (CID 154645816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).