[4-(2-oxoethyl)phenyl]carbamic acid

C9H9NO3 — CID 87359539

IUPAC[4-(2-oxoethyl)phenyl]carbamic acid
SMILESO=CCc1ccc(NC(=O)O)cc1
InChIInChI=1S/C9H9NO3/c11-6-5-7-1-3-8(4-2-7)10-9(12)13/h1-4,6,10H,5H2,(H,12,13)
InChIKeyFUPBZVLCYNTGFU-UHFFFAOYSA-N
MW179.17 g/mol
LogP1.52
Rot. Bonds3

About [4-(2-oxoethyl)phenyl]carbamic acid

[4-(2-oxoethyl)phenyl]carbamic acid (PubChem CID 87359539) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is [4-(2-oxoethyl)phenyl]carbamic acid.

Molecular Properties

Compound Name[4-(2-oxoethyl)phenyl]carbamic acid
PubChem CID87359539
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name[4-(2-oxoethyl)phenyl]carbamic acid
SMILESO=CCc1ccc(NC(=O)O)cc1
InChIInChI=1S/C9H9NO3/c11-6-5-7-1-3-8(4-2-7)10-9(12)13/h1-4,6,10H,5H2,(H,12,13)
InChIKeyFUPBZVLCYNTGFU-UHFFFAOYSA-N
XLogP1.52
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(2-iodoethyl)phenyl]carbamic acid
CID 66577892
[4-(2-methylpropyl)phenyl]carbamic acid
CID 115170610
(4-chlorophenyl)methyl N-[4-(2-oxoethyl)phenyl]carbamate
CID 171824056
[4-[(3-fluoro-4-formylphenyl)methyl]phenyl]carbamic acid
CID 174187468
[4-[[4-(phosphanyloxycarbonylamino)phenyl]methyl]phenyl]carbamic acid
CID 59679789
(4-ethenylphenyl)carbamic acid
CID 22352089
[4-(ethylamino)phenyl]carbamic acid
CID 122640243
[4-[(2-bromoacetyl)amino]phenyl]carbamic acid
CID 18543497
[4-[(2S)-2-amino-3-oxobutyl]phenyl]carbamic acid;uranium
CID 157140877
methyl hydrogen carbonate;2-phenylacetaldehyde
CID 175092622
phosphane;[4-[[4-(phosphanyloxycarbonylamino)phenyl]methyl]phenyl]carbamic acid;uranium
CID 59679788
N-(4-prop-2-enylphenyl)benzamide
CID 67934091

Frequently Asked Questions

What is the IUPAC name of [4-(2-oxoethyl)phenyl]carbamic acid?
The IUPAC name of [4-(2-oxoethyl)phenyl]carbamic acid (CID 87359539) is [4-(2-oxoethyl)phenyl]carbamic acid.
What is the SMILES notation for [4-(2-oxoethyl)phenyl]carbamic acid?
The canonical SMILES for [4-(2-oxoethyl)phenyl]carbamic acid is O=CCc1ccc(NC(=O)O)cc1.
What is the InChIKey of [4-(2-oxoethyl)phenyl]carbamic acid?
The InChIKey is FUPBZVLCYNTGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c11-6-5-7-1-3-8(4-2-7)10-9(12)13/h1-4,6,10H,5H2,(H,12,13).
What are the key properties of [4-(2-oxoethyl)phenyl]carbamic acid?
[4-(2-oxoethyl)phenyl]carbamic acid has a molecular weight of 179.17 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-oxoethyl)phenyl]carbamic acid is sourced from PubChem (CID 87359539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).