1-chloro-1-(2-chloro-4-hydroxyphenyl)propan-2-one

C9H8Cl2O2 — CID 131092330

IUPAC1-chloro-1-(2-chloro-4-hydroxyphenyl)propan-2-one
SMILESCC(=O)C(Cl)c1ccc(O)cc1Cl
InChIInChI=1S/C9H8Cl2O2/c1-5(12)9(11)7-3-2-6(13)4-8(7)10/h2-4,9,13H,1H3
InChIKeyMJYVEBKMEJLZQB-UHFFFAOYSA-N
MW219.07 g/mol
LogP2.91
Rot. Bonds2

About 1-chloro-1-(2-chloro-4-hydroxyphenyl)propan-2-one

1-chloro-1-(2-chloro-4-hydroxyphenyl)propan-2-one (PubChem CID 131092330) has the molecular formula C9H8Cl2O2 and a molecular weight of 219.07 g/mol. Its IUPAC name is 1-chloro-1-(2-chloro-4-hydroxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-chloro-1-(2-chloro-4-hydroxyphenyl)propan-2-one
PubChem CID131092330
Molecular FormulaC9H8Cl2O2
Molecular Weight219.07 g/mol
Exact Mass217.99
IUPAC Name1-chloro-1-(2-chloro-4-hydroxyphenyl)propan-2-one
SMILESCC(=O)C(Cl)c1ccc(O)cc1Cl
InChIInChI=1S/C9H8Cl2O2/c1-5(12)9(11)7-3-2-6(13)4-8(7)10/h2-4,9,13H,1H3
InChIKeyMJYVEBKMEJLZQB-UHFFFAOYSA-N
XLogP2.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.07
LogP ≤ 52.91
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

1-[2-(bromomethyl)-4-hydroxyphenyl]-1-chloropropan-2-one
CID 131117385
2-[2-(1-chloro-2-oxopropyl)-4-hydroxyphenyl]-2-hydroxyacetic acid
CID 134657321
1-chloro-1-[4-(difluoromethyl)-2-hydroxyphenyl]propan-2-one
CID 131394353
1-chloro-1-(2-chloro-5-sulfanylphenyl)propan-2-one
CID 130967617
methyl 3-(2-chloro-4-hydroxyphenyl)-2,3-dihydroxypropanoate
CID 171863662
1-chloro-1-(2-chloro-5-methoxyphenyl)propan-2-one
CID 131170136
1-chloro-1-(2-hydroxy-5-methylphenyl)propan-2-one
CID 130777645
2-[5-chloro-2-(1-chloro-2-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 134656015
1-chloro-1-(4-iodo-2-methylphenyl)propan-2-one
CID 131034107
3-chloro-4-(1-hydroxybutyl)phenol
CID 154088459
N-(2-chloro-4-hydroxyphenyl)acetamide
CID 14590937
1-chloro-1-(4-fluoro-2-methylsulfanylphenyl)propan-2-one
CID 130837000

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-(2-chloro-4-hydroxyphenyl)propan-2-one?
The IUPAC name of 1-chloro-1-(2-chloro-4-hydroxyphenyl)propan-2-one (CID 131092330) is 1-chloro-1-(2-chloro-4-hydroxyphenyl)propan-2-one.
What is the SMILES notation for 1-chloro-1-(2-chloro-4-hydroxyphenyl)propan-2-one?
The canonical SMILES for 1-chloro-1-(2-chloro-4-hydroxyphenyl)propan-2-one is CC(=O)C(Cl)c1ccc(O)cc1Cl.
What is the InChIKey of 1-chloro-1-(2-chloro-4-hydroxyphenyl)propan-2-one?
The InChIKey is MJYVEBKMEJLZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O2/c1-5(12)9(11)7-3-2-6(13)4-8(7)10/h2-4,9,13H,1H3.
What are the key properties of 1-chloro-1-(2-chloro-4-hydroxyphenyl)propan-2-one?
1-chloro-1-(2-chloro-4-hydroxyphenyl)propan-2-one has a molecular weight of 219.07 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-(2-chloro-4-hydroxyphenyl)propan-2-one is sourced from PubChem (CID 131092330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).