4-(benzhydrylamino)benzene-1,2-diol

C19H17NO2 — CID 175113517

IUPAC4-(benzhydrylamino)benzene-1,2-diol
SMILESOc1ccc(NC(c2ccccc2)c2ccccc2)cc1O
InChIInChI=1S/C19H17NO2/c21-17-12-11-16(13-18(17)22)20-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19-22H
InChIKeyCXRXOPCUVKZBJG-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.30
Rot. Bonds4

About 4-(benzhydrylamino)benzene-1,2-diol

4-(benzhydrylamino)benzene-1,2-diol (PubChem CID 175113517) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-(benzhydrylamino)benzene-1,2-diol.

Molecular Properties

Compound Name4-(benzhydrylamino)benzene-1,2-diol
PubChem CID175113517
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name4-(benzhydrylamino)benzene-1,2-diol
SMILESOc1ccc(NC(c2ccccc2)c2ccccc2)cc1O
InChIInChI=1S/C19H17NO2/c21-17-12-11-16(13-18(17)22)20-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19-22H
InChIKeyCXRXOPCUVKZBJG-UHFFFAOYSA-N
XLogP4.30
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-4-[[furan-2-yl(phenyl)methyl]amino]phenol
CID 64793530
3-N-benzhydrylbenzene-1,3-diamine
CID 43344281
2-[(4-bromoanilino)-phenylmethyl]phenol
CID 163183613
(2R)-2-(3,4-dihydroxyanilino)propanoic acid
CID 69224592
4-[(3,4-dihydroxyphenyl)-phenylmethyl]benzene-1,2-diol
CID 134202922
4-[[(4-hydroxyphenyl)-phenylmethyl]amino]benzonitrile
CID 43826622
2-(3,4-dihydroxyanilino)-3-hydroxypropanoic acid
CID 18679638
N-benzhydryl-4-ethylaniline
CID 175202309
1-benzhydryl-3-(3,4,5-trihydroxyphenyl)urea
CID 108871724
3-fluoro-N-[phenyl(pyridin-4-yl)methyl]aniline
CID 43608159
benzene-1,2-diol;hydrogen peroxide
CID 22924348
cyclodeca-2,4,6,8,10-pentaene-1,2-diol
CID 143742281

Frequently Asked Questions

What is the IUPAC name of 4-(benzhydrylamino)benzene-1,2-diol?
The IUPAC name of 4-(benzhydrylamino)benzene-1,2-diol (CID 175113517) is 4-(benzhydrylamino)benzene-1,2-diol.
What is the SMILES notation for 4-(benzhydrylamino)benzene-1,2-diol?
The canonical SMILES for 4-(benzhydrylamino)benzene-1,2-diol is Oc1ccc(NC(c2ccccc2)c2ccccc2)cc1O.
What is the InChIKey of 4-(benzhydrylamino)benzene-1,2-diol?
The InChIKey is CXRXOPCUVKZBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c21-17-12-11-16(13-18(17)22)20-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19-22H.
What are the key properties of 4-(benzhydrylamino)benzene-1,2-diol?
4-(benzhydrylamino)benzene-1,2-diol has a molecular weight of 291.35 g/mol, XLogP of 4.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzhydrylamino)benzene-1,2-diol is sourced from PubChem (CID 175113517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).