1-(4-hydroxyphenyl)-3-(2-oxochromen-6-yl)urea

C16H12N2O4 — CID 99832234

IUPAC1-(4-hydroxyphenyl)-3-(2-oxochromen-6-yl)urea
SMILESO=C(Nc1ccc(O)cc1)Nc1ccc2oc(=O)ccc2c1
InChIInChI=1S/C16H12N2O4/c19-13-5-2-11(3-6-13)17-16(21)18-12-4-7-14-10(9-12)1-8-15(20)22-14/h1-9,19H,(H2,17,18,21)
InChIKeyBCNIYXWPJJBANX-UHFFFAOYSA-N
MW296.28 g/mol
LogP3.14
Rot. Bonds2

About 1-(4-hydroxyphenyl)-3-(2-oxochromen-6-yl)urea

1-(4-hydroxyphenyl)-3-(2-oxochromen-6-yl)urea (PubChem CID 99832234) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-3-(2-oxochromen-6-yl)urea.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-3-(2-oxochromen-6-yl)urea
PubChem CID99832234
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC Name1-(4-hydroxyphenyl)-3-(2-oxochromen-6-yl)urea
SMILESO=C(Nc1ccc(O)cc1)Nc1ccc2oc(=O)ccc2c1
InChIInChI=1S/C16H12N2O4/c19-13-5-2-11(3-6-13)17-16(21)18-12-4-7-14-10(9-12)1-8-15(20)22-14/h1-9,19H,(H2,17,18,21)
InChIKeyBCNIYXWPJJBANX-UHFFFAOYSA-N
XLogP3.14
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-oxochromen-6-yl)carbamic acid
CID 18427920
1-(2-bromoprop-2-enyl)-3-(2-oxochromen-6-yl)urea
CID 47440425
2-methyl-N-(2-oxochromen-6-yl)butanamide
CID 47294321
1-(1-methoxypropan-2-yl)-3-(2-oxochromen-6-yl)urea
CID 75417545
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-(2-oxochromen-6-yl)urea
CID 95242282
1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3-(2-oxochromen-6-yl)urea
CID 95163140
2-chloro-N-(2-oxochromen-6-yl)benzamide
CID 965741
N'-hydroxy-N-(2-oxochromen-6-yl)octanediamide
CID 86581290
2-amino-N-(2-oxochromen-6-yl)-3-phenylpropanamide;hydrochloride
CID 139945933
N-[4-[(2-oxochromen-6-yl)sulfonylamino]phenyl]acetamide
CID 18524688
2-methyl-N-[(2-oxochromen-6-yl)carbamothioyl]propanamide
CID 953736
1-ethyl-3-(2-oxochromen-6-yl)thiourea
CID 44586620

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-3-(2-oxochromen-6-yl)urea?
The IUPAC name of 1-(4-hydroxyphenyl)-3-(2-oxochromen-6-yl)urea (CID 99832234) is 1-(4-hydroxyphenyl)-3-(2-oxochromen-6-yl)urea.
What is the SMILES notation for 1-(4-hydroxyphenyl)-3-(2-oxochromen-6-yl)urea?
The canonical SMILES for 1-(4-hydroxyphenyl)-3-(2-oxochromen-6-yl)urea is O=C(Nc1ccc(O)cc1)Nc1ccc2oc(=O)ccc2c1.
What is the InChIKey of 1-(4-hydroxyphenyl)-3-(2-oxochromen-6-yl)urea?
The InChIKey is BCNIYXWPJJBANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4/c19-13-5-2-11(3-6-13)17-16(21)18-12-4-7-14-10(9-12)1-8-15(20)22-14/h1-9,19H,(H2,17,18,21).
What are the key properties of 1-(4-hydroxyphenyl)-3-(2-oxochromen-6-yl)urea?
1-(4-hydroxyphenyl)-3-(2-oxochromen-6-yl)urea has a molecular weight of 296.28 g/mol, XLogP of 3.14, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-3-(2-oxochromen-6-yl)urea is sourced from PubChem (CID 99832234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).