2-chloro-1-(4-hydroxy-2,3-dimethylphenyl)ethanone

C10H11ClO2 — CID 82266490

IUPAC2-chloro-1-(4-hydroxy-2,3-dimethylphenyl)ethanone
SMILESCc1c(O)ccc(C(=O)CCl)c1C
InChIInChI=1S/C10H11ClO2/c1-6-7(2)9(12)4-3-8(6)10(13)5-11/h3-4,12H,5H2,1-2H3
InChIKeyBITZXDPVCANSQJ-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.43
Rot. Bonds2

About 2-chloro-1-(4-hydroxy-2,3-dimethylphenyl)ethanone

2-chloro-1-(4-hydroxy-2,3-dimethylphenyl)ethanone (PubChem CID 82266490) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is 2-chloro-1-(4-hydroxy-2,3-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(4-hydroxy-2,3-dimethylphenyl)ethanone
PubChem CID82266490
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Name2-chloro-1-(4-hydroxy-2,3-dimethylphenyl)ethanone
SMILESCc1c(O)ccc(C(=O)CCl)c1C
InChIInChI=1S/C10H11ClO2/c1-6-7(2)9(12)4-3-8(6)10(13)5-11/h3-4,12H,5H2,1-2H3
InChIKeyBITZXDPVCANSQJ-UHFFFAOYSA-N
XLogP2.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1-(2,3-difluoro-4-hydroxyphenyl)ethanone
CID 130769171
2-chloro-1-(2,3-difluoro-4-methylphenyl)ethanone
CID 130981144
1-(2-bromo-3-hydroxy-4-methylphenyl)-2-chloroethanone
CID 171007223
1-(2-bromo-4-iodo-3-methylphenyl)-2-chloroethanone
CID 171010262
1-(2,3,4-trimethylphenyl)propan-1-one
CID 19901190
2-chloro-1-(2-chloro-3-fluoro-4-methylphenyl)ethanone
CID 130775332
2,3-dimethylbenzene-1,4-diol;hydrate
CID 172699169
2-chloro-1-(3-fluoro-2-iodo-4-methylphenyl)ethanone
CID 171011725
2-chloro-1-(2,5-dimethylphenyl)ethanone
CID 2363693
2-chloro-1-(1,4-dimethylindazol-5-yl)ethanone
CID 39104078
2-chloro-1-(2-fluoro-4-methoxy-3-methylphenyl)ethanone
CID 171018656
3-chloro-1-(3-chloro-2,4-dimethylphenyl)propan-1-one
CID 91619444

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(4-hydroxy-2,3-dimethylphenyl)ethanone?
The IUPAC name of 2-chloro-1-(4-hydroxy-2,3-dimethylphenyl)ethanone (CID 82266490) is 2-chloro-1-(4-hydroxy-2,3-dimethylphenyl)ethanone.
What is the SMILES notation for 2-chloro-1-(4-hydroxy-2,3-dimethylphenyl)ethanone?
The canonical SMILES for 2-chloro-1-(4-hydroxy-2,3-dimethylphenyl)ethanone is Cc1c(O)ccc(C(=O)CCl)c1C.
What is the InChIKey of 2-chloro-1-(4-hydroxy-2,3-dimethylphenyl)ethanone?
The InChIKey is BITZXDPVCANSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2/c1-6-7(2)9(12)4-3-8(6)10(13)5-11/h3-4,12H,5H2,1-2H3.
What are the key properties of 2-chloro-1-(4-hydroxy-2,3-dimethylphenyl)ethanone?
2-chloro-1-(4-hydroxy-2,3-dimethylphenyl)ethanone has a molecular weight of 198.65 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(4-hydroxy-2,3-dimethylphenyl)ethanone is sourced from PubChem (CID 82266490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).