1-(2-hydroxyphenyl)-3-[(4-methoxyphenyl)methyl]urea

C15H16N2O3 — CID 108868159

IUPAC1-(2-hydroxyphenyl)-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)Nc2ccccc2O)cc1
InChIInChI=1S/C15H16N2O3/c1-20-12-8-6-11(7-9-12)10-16-15(19)17-13-4-2-3-5-14(13)18/h2-9,18H,10H2,1H3,(H2,16,17,19)
InChIKeyKVEQSGAJQCQQOK-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.72
Rot. Bonds4

About 1-(2-hydroxyphenyl)-3-[(4-methoxyphenyl)methyl]urea

1-(2-hydroxyphenyl)-3-[(4-methoxyphenyl)methyl]urea (PubChem CID 108868159) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-(2-hydroxyphenyl)-3-[(4-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(2-hydroxyphenyl)-3-[(4-methoxyphenyl)methyl]urea
PubChem CID108868159
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name1-(2-hydroxyphenyl)-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)Nc2ccccc2O)cc1
InChIInChI=1S/C15H16N2O3/c1-20-12-8-6-11(7-9-12)10-16-15(19)17-13-4-2-3-5-14(13)18/h2-9,18H,10H2,1H3,(H2,16,17,19)
InChIKeyKVEQSGAJQCQQOK-UHFFFAOYSA-N
XLogP2.72
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethylphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 17379696
1-(2-hydroxy-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868237
2-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 2544461
1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea
CID 1243878
1-[(4-methoxyphenyl)methyl]-3-(2-pyrazol-1-ylphenyl)urea
CID 47040896
1-(2-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3723719
1-(2,6-dichlorophenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 3407219
1-benzyl-3-(2-chloro-4-methoxyphenyl)urea
CID 110774601
1-(2-hydroxyphenyl)-3-(methoxymethyl)urea
CID 58971826
2-acetamido-N-[(4-methoxyphenyl)methyl]benzamide
CID 3350357
1-[2-(dimethylamino)ethyl]-3-[2-[(4-methoxyphenyl)methylamino]phenyl]urea
CID 10268959
1-(5-chloro-2-methylsulfanylphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 60588866

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyphenyl)-3-[(4-methoxyphenyl)methyl]urea?
The IUPAC name of 1-(2-hydroxyphenyl)-3-[(4-methoxyphenyl)methyl]urea (CID 108868159) is 1-(2-hydroxyphenyl)-3-[(4-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-(2-hydroxyphenyl)-3-[(4-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-(2-hydroxyphenyl)-3-[(4-methoxyphenyl)methyl]urea is COc1ccc(CNC(=O)Nc2ccccc2O)cc1.
What is the InChIKey of 1-(2-hydroxyphenyl)-3-[(4-methoxyphenyl)methyl]urea?
The InChIKey is KVEQSGAJQCQQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-20-12-8-6-11(7-9-12)10-16-15(19)17-13-4-2-3-5-14(13)18/h2-9,18H,10H2,1H3,(H2,16,17,19).
What are the key properties of 1-(2-hydroxyphenyl)-3-[(4-methoxyphenyl)methyl]urea?
1-(2-hydroxyphenyl)-3-[(4-methoxyphenyl)methyl]urea has a molecular weight of 272.30 g/mol, XLogP of 2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyphenyl)-3-[(4-methoxyphenyl)methyl]urea is sourced from PubChem (CID 108868159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).