(1-hydroxy-2-oxo-1,2-diphenylethyl)carbamic acid

C15H13NO4 — CID 66966807

IUPAC(1-hydroxy-2-oxo-1,2-diphenylethyl)carbamic acid
SMILESO=C(O)NC(O)(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H13NO4/c17-13(11-7-3-1-4-8-11)15(20,16-14(18)19)12-9-5-2-6-10-12/h1-10,16,20H,(H,18,19)
InChIKeyFVEGVTDHYDKJRE-UHFFFAOYSA-N
MW271.27 g/mol
LogP1.98
Rot. Bonds4

About (1-hydroxy-2-oxo-1,2-diphenylethyl)carbamic acid

(1-hydroxy-2-oxo-1,2-diphenylethyl)carbamic acid (PubChem CID 66966807) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is (1-hydroxy-2-oxo-1,2-diphenylethyl)carbamic acid.

Molecular Properties

Compound Name(1-hydroxy-2-oxo-1,2-diphenylethyl)carbamic acid
PubChem CID66966807
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name(1-hydroxy-2-oxo-1,2-diphenylethyl)carbamic acid
SMILESO=C(O)NC(O)(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H13NO4/c17-13(11-7-3-1-4-8-11)15(20,16-14(18)19)12-9-5-2-6-10-12/h1-10,16,20H,(H,18,19)
InChIKeyFVEGVTDHYDKJRE-UHFFFAOYSA-N
XLogP1.98
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 130423214
3-[2-(4-fluorophenyl)-5-hydroxy-6-oxo-1H-pyridin-3-yl]benzoic acid
CID 73504306
2-(Dimethylamino)-2-hydroxy-1,2-diphenylethanone
CID 54099024
5-hydroxy-4-methyl-3,5-diphenyl-1H-pyrrol-2-one
CID 13046806
3,5-Diphenyl-5-hydroxy-2-pyrrolin-4-one
CID 129701571
N-[(Z)-2-hydroxy-1,2-diphenylethenyl]-2-oxo-2-phenylacetamide
CID 134840375
4-Benzoyl-5-hydroxy-3,5-diphenyl-2(5H)-pyrrolone
CID 570210
4-[4-(Tert-butylcarbamoyl)benzoyl]benzoic acid
CID 10892724
N-[hydroxy(diphenyl)methyl]benzamide
CID 12259329
2-Amino-2-hydroxy-1,2-diphenylethanone
CID 53960240
2-[2-[2-(Methoxycarbonylamino)propan-2-yl]phenyl]benzoic acid
CID 60110220
N-(1-hydroxy-2-oxo-1,2-diphenylethyl)acetamide
CID 66789650

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-2-oxo-1,2-diphenylethyl)carbamic acid?
The IUPAC name of (1-hydroxy-2-oxo-1,2-diphenylethyl)carbamic acid (CID 66966807) is (1-hydroxy-2-oxo-1,2-diphenylethyl)carbamic acid.
What is the SMILES notation for (1-hydroxy-2-oxo-1,2-diphenylethyl)carbamic acid?
The canonical SMILES for (1-hydroxy-2-oxo-1,2-diphenylethyl)carbamic acid is O=C(O)NC(O)(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (1-hydroxy-2-oxo-1,2-diphenylethyl)carbamic acid?
The InChIKey is FVEGVTDHYDKJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c17-13(11-7-3-1-4-8-11)15(20,16-14(18)19)12-9-5-2-6-10-12/h1-10,16,20H,(H,18,19).
What are the key properties of (1-hydroxy-2-oxo-1,2-diphenylethyl)carbamic acid?
(1-hydroxy-2-oxo-1,2-diphenylethyl)carbamic acid has a molecular weight of 271.27 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-2-oxo-1,2-diphenylethyl)carbamic acid is sourced from PubChem (CID 66966807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).