2,2-dichloro-1,2-bis(4-hydroxyphenyl)ethanone

C14H10Cl2O3 — CID 170342037

IUPAC2,2-dichloro-1,2-bis(4-hydroxyphenyl)ethanone
SMILESO=C(c1ccc(O)cc1)C(Cl)(Cl)c1ccc(O)cc1
InChIInChI=1S/C14H10Cl2O3/c15-14(16,10-3-7-12(18)8-4-10)13(19)9-1-5-11(17)6-2-9/h1-8,17-18H
InChIKeyHWYSQQCJDZLVKK-UHFFFAOYSA-N
MW297.14 g/mol
LogP3.61
Rot. Bonds3

About 2,2-dichloro-1,2-bis(4-hydroxyphenyl)ethanone

2,2-dichloro-1,2-bis(4-hydroxyphenyl)ethanone (PubChem CID 170342037) has the molecular formula C14H10Cl2O3 and a molecular weight of 297.14 g/mol. Its IUPAC name is 2,2-dichloro-1,2-bis(4-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name2,2-dichloro-1,2-bis(4-hydroxyphenyl)ethanone
PubChem CID170342037
Molecular FormulaC14H10Cl2O3
Molecular Weight297.14 g/mol
Exact Mass296.00
IUPAC Name2,2-dichloro-1,2-bis(4-hydroxyphenyl)ethanone
SMILESO=C(c1ccc(O)cc1)C(Cl)(Cl)c1ccc(O)cc1
InChIInChI=1S/C14H10Cl2O3/c15-14(16,10-3-7-12(18)8-4-10)13(19)9-1-5-11(17)6-2-9/h1-8,17-18H
InChIKeyHWYSQQCJDZLVKK-UHFFFAOYSA-N
XLogP3.61
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy(11C)benzoic acid
CID 11275035
4-(trichloromethyl)phenol
CID 21200855
benzene-1,4-dicarbonyl chloride;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 86756476
4-hydroxybenzoic acid;silver
CID 88784168
4-hydroxybenzoic acid;decahydrate
CID 140502755
4-hydroxybenzoic acid;tetrahydrate
CID 158154319
sodium;4-hydroxybenzoic acid;hydroxide
CID 161288203
formaldehyde;4-hydroxybenzoic acid
CID 68624082
ethene;bis(4-hydroxybenzoic acid)
CID 158613514
methyl 4-hydroxybenzoate;oxalyl dichloride
CID 174433291
2-(4-hydroxyphenyl)-2,3-dimethylbutanoyl chloride
CID 117048075
2-(4-hydroxyphenyl)prop-2-enoyl chloride
CID 174874840

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1,2-bis(4-hydroxyphenyl)ethanone?
The IUPAC name of 2,2-dichloro-1,2-bis(4-hydroxyphenyl)ethanone (CID 170342037) is 2,2-dichloro-1,2-bis(4-hydroxyphenyl)ethanone.
What is the SMILES notation for 2,2-dichloro-1,2-bis(4-hydroxyphenyl)ethanone?
The canonical SMILES for 2,2-dichloro-1,2-bis(4-hydroxyphenyl)ethanone is O=C(c1ccc(O)cc1)C(Cl)(Cl)c1ccc(O)cc1.
What is the InChIKey of 2,2-dichloro-1,2-bis(4-hydroxyphenyl)ethanone?
The InChIKey is HWYSQQCJDZLVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O3/c15-14(16,10-3-7-12(18)8-4-10)13(19)9-1-5-11(17)6-2-9/h1-8,17-18H.
What are the key properties of 2,2-dichloro-1,2-bis(4-hydroxyphenyl)ethanone?
2,2-dichloro-1,2-bis(4-hydroxyphenyl)ethanone has a molecular weight of 297.14 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1,2-bis(4-hydroxyphenyl)ethanone is sourced from PubChem (CID 170342037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).