1-(3,5-dihydroxyphenyl)-3-(1-hydroxybutan-2-yl)urea

C11H16N2O4 — CID 108895499

IUPAC1-(3,5-dihydroxyphenyl)-3-(1-hydroxybutan-2-yl)urea
SMILESCCC(CO)NC(=O)Nc1cc(O)cc(O)c1
InChIInChI=1S/C11H16N2O4/c1-2-7(6-14)12-11(17)13-8-3-9(15)5-10(16)4-8/h3-5,7,14-16H,2,6H2,1H3,(H2,12,13,17)
InChIKeyMIHHDQMQAXHABZ-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.99
Rot. Bonds4

About 1-(3,5-dihydroxyphenyl)-3-(1-hydroxybutan-2-yl)urea

1-(3,5-dihydroxyphenyl)-3-(1-hydroxybutan-2-yl)urea (PubChem CID 108895499) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-(3,5-dihydroxyphenyl)-3-(1-hydroxybutan-2-yl)urea.

Molecular Properties

Compound Name1-(3,5-dihydroxyphenyl)-3-(1-hydroxybutan-2-yl)urea
PubChem CID108895499
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name1-(3,5-dihydroxyphenyl)-3-(1-hydroxybutan-2-yl)urea
SMILESCCC(CO)NC(=O)Nc1cc(O)cc(O)c1
InChIInChI=1S/C11H16N2O4/c1-2-7(6-14)12-11(17)13-8-3-9(15)5-10(16)4-8/h3-5,7,14-16H,2,6H2,1H3,(H2,12,13,17)
InChIKeyMIHHDQMQAXHABZ-UHFFFAOYSA-N
XLogP0.99
TPSA101.82 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Analyze 1-(3,5-dihydroxyphenyl)-3-(1-hydroxybutan-2-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dimethylphenyl)-3-(1-hydroxybutan-2-yl)urea
CID 108894071
1-(1-hydroxybutan-2-yl)-3-methylurea
CID 115279269
1-[3,5-bis(trifluoromethyl)phenyl]-3-pentan-3-ylurea
CID 108888360
1-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-[(2S)-1-hydroxybutan-2-yl]urea
CID 100639698
1-[3-[(dimethylamino)methyl]phenyl]-3-(1-hydroxybutan-2-yl)urea
CID 47202599
1-(1-hydroxybutan-2-yl)-3-[3-[methyl(propan-2-yl)amino]phenyl]urea
CID 111111753
1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(1-hydroxybutan-2-yl)urea
CID 110890686
1-(2-bromo-5-fluorophenyl)-3-(1-hydroxybutan-2-yl)urea
CID 75379402
1-(3-ethyl-1-methylpyrazol-5-yl)-3-(1-hydroxybutan-2-yl)urea
CID 111422828
1-(3,5-dihydroxyphenyl)-3-(2-methylpropyl)urea
CID 108895351
1-[2,6-di(propan-2-yl)phenyl]-3-(1-hydroxybutan-2-yl)urea
CID 110890372
1-(1-hydroxybutan-2-yl)-3-thiophen-2-ylurea
CID 108889196

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dihydroxyphenyl)-3-(1-hydroxybutan-2-yl)urea?
The IUPAC name of 1-(3,5-dihydroxyphenyl)-3-(1-hydroxybutan-2-yl)urea (CID 108895499) is 1-(3,5-dihydroxyphenyl)-3-(1-hydroxybutan-2-yl)urea.
What is the SMILES notation for 1-(3,5-dihydroxyphenyl)-3-(1-hydroxybutan-2-yl)urea?
The canonical SMILES for 1-(3,5-dihydroxyphenyl)-3-(1-hydroxybutan-2-yl)urea is CCC(CO)NC(=O)Nc1cc(O)cc(O)c1.
What is the InChIKey of 1-(3,5-dihydroxyphenyl)-3-(1-hydroxybutan-2-yl)urea?
The InChIKey is MIHHDQMQAXHABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-2-7(6-14)12-11(17)13-8-3-9(15)5-10(16)4-8/h3-5,7,14-16H,2,6H2,1H3,(H2,12,13,17).
What are the key properties of 1-(3,5-dihydroxyphenyl)-3-(1-hydroxybutan-2-yl)urea?
1-(3,5-dihydroxyphenyl)-3-(1-hydroxybutan-2-yl)urea has a molecular weight of 240.26 g/mol, XLogP of 0.99, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dihydroxyphenyl)-3-(1-hydroxybutan-2-yl)urea is sourced from PubChem (CID 108895499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).