1-(3,5-dihydroxyphenyl)-3-(3,4-dimethylphenyl)urea

C15H16N2O3 — CID 108895471

IUPAC1-(3,5-dihydroxyphenyl)-3-(3,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2cc(O)cc(O)c2)cc1C
InChIInChI=1S/C15H16N2O3/c1-9-3-4-11(5-10(9)2)16-15(20)17-12-6-13(18)8-14(19)7-12/h3-8,18-19H,1-2H3,(H2,16,17,20)
InChIKeyDELDIODUTVQFSZ-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.36
Rot. Bonds2

About 1-(3,5-dihydroxyphenyl)-3-(3,4-dimethylphenyl)urea

1-(3,5-dihydroxyphenyl)-3-(3,4-dimethylphenyl)urea (PubChem CID 108895471) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-(3,5-dihydroxyphenyl)-3-(3,4-dimethylphenyl)urea.

Molecular Properties

Compound Name1-(3,5-dihydroxyphenyl)-3-(3,4-dimethylphenyl)urea
PubChem CID108895471
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name1-(3,5-dihydroxyphenyl)-3-(3,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2cc(O)cc(O)c2)cc1C
InChIInChI=1S/C15H16N2O3/c1-9-3-4-11(5-10(9)2)16-15(20)17-12-6-13(18)8-14(19)7-12/h3-8,18-19H,1-2H3,(H2,16,17,20)
InChIKeyDELDIODUTVQFSZ-UHFFFAOYSA-N
XLogP3.36
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)urea
CID 27870039
1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)urea
CID 769283
1-(3,4-dimethylphenyl)-3-(3-methylphenyl)urea
CID 2985670
N,N'-bis(3,4-dimethylphenyl)oxamide
CID 3278038
1-[4-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)urea
CID 5096263
1-(3,4-dimethylphenyl)-3-(2-methylphenyl)urea
CID 19165586
1-(3,4-dimethylphenyl)-3-naphthalen-2-ylurea
CID 108894077
1-(3,4-dimethylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 61346481
1-(3,5-dihydroxyphenyl)-3-naphthalen-2-ylurea
CID 108895519
1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(3,4-dimethylphenyl)urea
CID 91115284
1-(2-chloroethyl)-3-(3,4-dimethylphenyl)urea
CID 10105129
4-[2-[(3,4-dimethylphenyl)carbamoyl]hydrazinyl]benzoic acid
CID 51062889

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dihydroxyphenyl)-3-(3,4-dimethylphenyl)urea?
The IUPAC name of 1-(3,5-dihydroxyphenyl)-3-(3,4-dimethylphenyl)urea (CID 108895471) is 1-(3,5-dihydroxyphenyl)-3-(3,4-dimethylphenyl)urea.
What is the SMILES notation for 1-(3,5-dihydroxyphenyl)-3-(3,4-dimethylphenyl)urea?
The canonical SMILES for 1-(3,5-dihydroxyphenyl)-3-(3,4-dimethylphenyl)urea is Cc1ccc(NC(=O)Nc2cc(O)cc(O)c2)cc1C.
What is the InChIKey of 1-(3,5-dihydroxyphenyl)-3-(3,4-dimethylphenyl)urea?
The InChIKey is DELDIODUTVQFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-9-3-4-11(5-10(9)2)16-15(20)17-12-6-13(18)8-14(19)7-12/h3-8,18-19H,1-2H3,(H2,16,17,20).
What are the key properties of 1-(3,5-dihydroxyphenyl)-3-(3,4-dimethylphenyl)urea?
1-(3,5-dihydroxyphenyl)-3-(3,4-dimethylphenyl)urea has a molecular weight of 272.30 g/mol, XLogP of 3.36, 2 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-(3,4-dimethylphenyl)urea is sourced from PubChem (CID 108895471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).