1-(2-chloro-6-hydroxyphenyl)butan-1-one

C10H11ClO2 — CID 130034391

IUPAC1-(2-chloro-6-hydroxyphenyl)butan-1-one
SMILESCCCC(=O)c1c(O)cccc1Cl
InChIInChI=1S/C10H11ClO2/c1-2-4-8(12)10-7(11)5-3-6-9(10)13/h3,5-6,13H,2,4H2,1H3
InChIKeyRPGDQRRXDQSVSA-UHFFFAOYSA-N
MW198.65 g/mol
LogP3.03
Rot. Bonds3

About 1-(2-chloro-6-hydroxyphenyl)butan-1-one

1-(2-chloro-6-hydroxyphenyl)butan-1-one (PubChem CID 130034391) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is 1-(2-chloro-6-hydroxyphenyl)butan-1-one.

Molecular Properties

Compound Name1-(2-chloro-6-hydroxyphenyl)butan-1-one
PubChem CID130034391
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Name1-(2-chloro-6-hydroxyphenyl)butan-1-one
SMILESCCCC(=O)c1c(O)cccc1Cl
InChIInChI=1S/C10H11ClO2/c1-2-4-8(12)10-7(11)5-3-6-9(10)13/h3,5-6,13H,2,4H2,1H3
InChIKeyRPGDQRRXDQSVSA-UHFFFAOYSA-N
XLogP3.03
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dichlorophenyl)pentan-1-one
CID 83950203
1-(2,6-dichlorophenyl)heptan-1-one
CID 114966663
1-(2,3-dichlorophenyl)butan-1-one
CID 54508940
1-chloro-3-methyl-2-(4-propylhept-3-en-3-yl)benzene
CID 155108241
1-(2,3-dihydroxyphenyl)butan-1-one
CID 23094385
1-[3-(2-chloro-6-methylphenyl)-5-methyl-1,2-oxazol-4-yl]butan-1-one
CID 173416899
1-(2,6-dichlorophenyl)pent-4-yn-1-one
CID 114972777
(2,6-dichlorophenyl)methyl butanoate
CID 18398420
1-(5-chloro-2-hydroxy-3,6-dimethylphenyl)butan-1-one
CID 82266653
3-amino-1-(6-chloro-3-hydroxy-2-methoxyphenyl)propan-1-one
CID 117331388
1-(2,6-dichloro-3-nitrophenyl)butan-1-one
CID 162147986
lithium [3-(2-chloro-6-methoxyphenyl)-3-oxopropyl]phosphanide
CID 141023114

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-hydroxyphenyl)butan-1-one?
The IUPAC name of 1-(2-chloro-6-hydroxyphenyl)butan-1-one (CID 130034391) is 1-(2-chloro-6-hydroxyphenyl)butan-1-one.
What is the SMILES notation for 1-(2-chloro-6-hydroxyphenyl)butan-1-one?
The canonical SMILES for 1-(2-chloro-6-hydroxyphenyl)butan-1-one is CCCC(=O)c1c(O)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-hydroxyphenyl)butan-1-one?
The InChIKey is RPGDQRRXDQSVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2/c1-2-4-8(12)10-7(11)5-3-6-9(10)13/h3,5-6,13H,2,4H2,1H3.
What are the key properties of 1-(2-chloro-6-hydroxyphenyl)butan-1-one?
1-(2-chloro-6-hydroxyphenyl)butan-1-one has a molecular weight of 198.65 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-hydroxyphenyl)butan-1-one is sourced from PubChem (CID 130034391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).