[2-(3-chloro-4-hydroxyphenyl)phenyl]carbamic acid

C13H10ClNO3 — CID 68875995

IUPAC[2-(3-chloro-4-hydroxyphenyl)phenyl]carbamic acid
SMILESO=C(O)Nc1ccccc1-c1ccc(O)c(Cl)c1
InChIInChI=1S/C13H10ClNO3/c14-10-7-8(5-6-12(10)16)9-3-1-2-4-11(9)15-13(17)18/h1-7,15-16H,(H,17,18)
InChIKeyVQLMYNVWYLEYOZ-UHFFFAOYSA-N
MW263.68 g/mol
LogP3.80
Rot. Bonds2

About [2-(3-chloro-4-hydroxyphenyl)phenyl]carbamic acid

[2-(3-chloro-4-hydroxyphenyl)phenyl]carbamic acid (PubChem CID 68875995) has the molecular formula C13H10ClNO3 and a molecular weight of 263.68 g/mol. Its IUPAC name is [2-(3-chloro-4-hydroxyphenyl)phenyl]carbamic acid.

Molecular Properties

Compound Name[2-(3-chloro-4-hydroxyphenyl)phenyl]carbamic acid
PubChem CID68875995
Molecular FormulaC13H10ClNO3
Molecular Weight263.68 g/mol
Exact Mass263.03
IUPAC Name[2-(3-chloro-4-hydroxyphenyl)phenyl]carbamic acid
SMILESO=C(O)Nc1ccccc1-c1ccc(O)c(Cl)c1
InChIInChI=1S/C13H10ClNO3/c14-10-7-8(5-6-12(10)16)9-3-1-2-4-11(9)15-13(17)18/h1-7,15-16H,(H,17,18)
InChIKeyVQLMYNVWYLEYOZ-UHFFFAOYSA-N
XLogP3.80
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

US9828339, Example 58
CID 117852062
[2-(3-Fluoro-4-hydroxyphenyl)phenyl]carbamic acid
CID 68879390
[2-(3-Chloro-4-hydroxyphenyl)-4-fluorophenyl]carbamic acid
CID 68879792
[2-Fluoro-6-(4-hydroxyphenyl)phenyl]carbamic acid
CID 68943751
[2-(3-Chloro-5-hydroxyphenyl)-4-fluorophenyl]carbamic acid
CID 117852123
[2-(3-Chloro-4-fluorophenyl)-4-hydroxyphenyl]carbamic acid
CID 121374981
[2-(3-Chloro-4-hydroxyphenyl)-4-fluorophenyl]-[2-(1-methylpyrrolidin-2-yl)ethyl]carbamic acid
CID 121411507
[2-(3-Chloro-4-phenylmethoxyphenyl)-4-fluorophenyl]carbamic acid
CID 141200820
N-(3-chloro-4-fluorophenyl)-4-(3-chloro-4-hydroxyphenyl)-2-methylpentanamide
CID 156570263
7-(5-chloro-2-fluoro-4-hydroxyphenyl)-1H-quinolin-2-one
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3-Chloro-4-[(2-toluidinocarbonyl)oxy]-1,1'-biphenyl
CID 303303
4-tert-butylphenol;N-(3-chloro-4-hydroxyphenyl)acetamide
CID 19877520

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-hydroxyphenyl)phenyl]carbamic acid?
The IUPAC name of [2-(3-chloro-4-hydroxyphenyl)phenyl]carbamic acid (CID 68875995) is [2-(3-chloro-4-hydroxyphenyl)phenyl]carbamic acid.
What is the SMILES notation for [2-(3-chloro-4-hydroxyphenyl)phenyl]carbamic acid?
The canonical SMILES for [2-(3-chloro-4-hydroxyphenyl)phenyl]carbamic acid is O=C(O)Nc1ccccc1-c1ccc(O)c(Cl)c1.
What is the InChIKey of [2-(3-chloro-4-hydroxyphenyl)phenyl]carbamic acid?
The InChIKey is VQLMYNVWYLEYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3/c14-10-7-8(5-6-12(10)16)9-3-1-2-4-11(9)15-13(17)18/h1-7,15-16H,(H,17,18).
What are the key properties of [2-(3-chloro-4-hydroxyphenyl)phenyl]carbamic acid?
[2-(3-chloro-4-hydroxyphenyl)phenyl]carbamic acid has a molecular weight of 263.68 g/mol, XLogP of 3.80, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-hydroxyphenyl)phenyl]carbamic acid is sourced from PubChem (CID 68875995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).