1-(3,5-dihydroxyphenyl)-3-[2-(4-methylphenyl)ethyl]urea

C16H18N2O3 — CID 108895647

IUPAC1-(3,5-dihydroxyphenyl)-3-[2-(4-methylphenyl)ethyl]urea
SMILESCc1ccc(CCNC(=O)Nc2cc(O)cc(O)c2)cc1
InChIInChI=1S/C16H18N2O3/c1-11-2-4-12(5-3-11)6-7-17-16(21)18-13-8-14(19)10-15(20)9-13/h2-5,8-10,19-20H,6-7H2,1H3,(H2,17,18,21)
InChIKeyXITPCUVHXFSLST-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.77
Rot. Bonds4

About 1-(3,5-dihydroxyphenyl)-3-[2-(4-methylphenyl)ethyl]urea

1-(3,5-dihydroxyphenyl)-3-[2-(4-methylphenyl)ethyl]urea (PubChem CID 108895647) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(3,5-dihydroxyphenyl)-3-[2-(4-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(3,5-dihydroxyphenyl)-3-[2-(4-methylphenyl)ethyl]urea
PubChem CID108895647
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name1-(3,5-dihydroxyphenyl)-3-[2-(4-methylphenyl)ethyl]urea
SMILESCc1ccc(CCNC(=O)Nc2cc(O)cc(O)c2)cc1
InChIInChI=1S/C16H18N2O3/c1-11-2-4-12(5-3-11)6-7-17-16(21)18-13-8-14(19)10-15(20)9-13/h2-5,8-10,19-20H,6-7H2,1H3,(H2,17,18,21)
InChIKeyXITPCUVHXFSLST-UHFFFAOYSA-N
XLogP2.77
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-(4-methylphenyl)ethylcarbamoylamino]phenyl]acetamide
CID 108884258
1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)urea
CID 727799
1-methyl-3-[2-(4-methylphenyl)ethyl]urea
CID 18334314
1-(3-hydroxyphenyl)-3-(2-phenylethyl)urea
CID 108888024
1-(2-chloroethyl)-3-(3,5-dihydroxyphenyl)urea
CID 108895408
1-[2-(4-fluorophenyl)ethyl]-3-(3,4,5-trihydroxyphenyl)urea
CID 108871934
1-(2-chloro-4,6-dimethylphenyl)-3-[2-(4-methylphenyl)ethyl]urea
CID 108891207
1-[2-(3-methylphenyl)ethyl]-3-(3,4,5-trihydroxyphenyl)urea
CID 108871999
1-(3,5-dihydroxyphenyl)-3-[2-(dimethylamino)ethyl]urea
CID 108895532
1-[2-(4-bromophenyl)ethyl]-3-(3,4-dimethylphenyl)urea
CID 108894116
methyl 2-[2-(4-methylphenyl)ethylcarbamoylamino]benzoate
CID 108891044
1-[2-(4-methylphenyl)ethyl]-3-[(E)-prop-1-enyl]urea
CID 108909730

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dihydroxyphenyl)-3-[2-(4-methylphenyl)ethyl]urea?
The IUPAC name of 1-(3,5-dihydroxyphenyl)-3-[2-(4-methylphenyl)ethyl]urea (CID 108895647) is 1-(3,5-dihydroxyphenyl)-3-[2-(4-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-(3,5-dihydroxyphenyl)-3-[2-(4-methylphenyl)ethyl]urea?
The canonical SMILES for 1-(3,5-dihydroxyphenyl)-3-[2-(4-methylphenyl)ethyl]urea is Cc1ccc(CCNC(=O)Nc2cc(O)cc(O)c2)cc1.
What is the InChIKey of 1-(3,5-dihydroxyphenyl)-3-[2-(4-methylphenyl)ethyl]urea?
The InChIKey is XITPCUVHXFSLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11-2-4-12(5-3-11)6-7-17-16(21)18-13-8-14(19)10-15(20)9-13/h2-5,8-10,19-20H,6-7H2,1H3,(H2,17,18,21).
What are the key properties of 1-(3,5-dihydroxyphenyl)-3-[2-(4-methylphenyl)ethyl]urea?
1-(3,5-dihydroxyphenyl)-3-[2-(4-methylphenyl)ethyl]urea has a molecular weight of 286.33 g/mol, XLogP of 2.77, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dihydroxyphenyl)-3-[2-(4-methylphenyl)ethyl]urea is sourced from PubChem (CID 108895647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).