1-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)-3-(4-methoxyphenyl)urea

C15H14N2O4 — CID 16659630

IUPAC1-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(O)c(=O)cc2)cc1
InChIInChI=1S/C15H14N2O4/c1-21-12-6-2-10(3-7-12)16-15(20)17-11-4-8-13(18)14(19)9-5-11/h2-9H,1H3,(H,18,19)(H2,16,17,20)
InChIKeyOVGAFFQKXYLOIH-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.40
Rot. Bonds3

About 1-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)-3-(4-methoxyphenyl)urea

1-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)-3-(4-methoxyphenyl)urea (PubChem CID 16659630) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 1-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)-3-(4-methoxyphenyl)urea
PubChem CID16659630
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name1-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(O)c(=O)cc2)cc1
InChIInChI=1S/C15H14N2O4/c1-21-12-6-2-10(3-7-12)16-15(20)17-11-4-8-13(18)14(19)9-5-11/h2-9H,1H3,(H,18,19)(H2,16,17,20)
InChIKeyOVGAFFQKXYLOIH-UHFFFAOYSA-N
XLogP2.40
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-bis(4-methoxyphenyl)urea
CID 139045428
1-(3-chloro-4-hydroxyphenyl)-3-(4-methoxyphenyl)urea
CID 64788507
2-hydroxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]cyclohepta-2,4,6-trien-1-one
CID 12681155
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
1-tert-butyl-3-(4-methoxyphenyl)urea
CID 6457975
1-(4-methoxyphenyl)-3-propan-2-ylurea
CID 4616042
1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)urea
CID 108866363
1-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(4-methoxyphenyl)urea
CID 21184626
1-(4-methoxyphenyl)-3-[8-[(4-methoxyphenyl)carbamoylamino]naphthalen-1-yl]urea
CID 102497884
(4-methoxyphenyl)carbamothioic S-acid
CID 12725828
1-(3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 727874
1-cyclopentyloxy-3-(4-methoxyphenyl)urea
CID 112551748

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)-3-(4-methoxyphenyl)urea (CID 16659630) is 1-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)Nc2ccc(O)c(=O)cc2)cc1.
What is the InChIKey of 1-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)-3-(4-methoxyphenyl)urea?
The InChIKey is OVGAFFQKXYLOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-21-12-6-2-10(3-7-12)16-15(20)17-11-4-8-13(18)14(19)9-5-11/h2-9H,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 1-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)-3-(4-methoxyphenyl)urea?
1-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)-3-(4-methoxyphenyl)urea has a molecular weight of 286.29 g/mol, XLogP of 2.40, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 16659630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).