1-(3,5-dihydroxyphenyl)-3-naphthalen-2-ylurea

C17H14N2O3 — CID 108895519

IUPAC1-(3,5-dihydroxyphenyl)-3-naphthalen-2-ylurea
SMILESO=C(Nc1cc(O)cc(O)c1)Nc1ccc2ccccc2c1
InChIInChI=1S/C17H14N2O3/c20-15-8-14(9-16(21)10-15)19-17(22)18-13-6-5-11-3-1-2-4-12(11)7-13/h1-10,20-21H,(H2,18,19,22)
InChIKeyUVPKLSVCABCLRA-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.89
Rot. Bonds2

About 1-(3,5-dihydroxyphenyl)-3-naphthalen-2-ylurea

1-(3,5-dihydroxyphenyl)-3-naphthalen-2-ylurea (PubChem CID 108895519) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 1-(3,5-dihydroxyphenyl)-3-naphthalen-2-ylurea.

Molecular Properties

Compound Name1-(3,5-dihydroxyphenyl)-3-naphthalen-2-ylurea
PubChem CID108895519
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name1-(3,5-dihydroxyphenyl)-3-naphthalen-2-ylurea
SMILESO=C(Nc1cc(O)cc(O)c1)Nc1ccc2ccccc2c1
InChIInChI=1S/C17H14N2O3/c20-15-8-14(9-16(21)10-15)19-17(22)18-13-6-5-11-3-1-2-4-12(11)7-13/h1-10,20-21H,(H2,18,19,22)
InChIKeyUVPKLSVCABCLRA-UHFFFAOYSA-N
XLogP3.89
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-naphthalen-2-ylurea
CID 3454681
1-(3,4-dimethylphenyl)-3-naphthalen-2-ylurea
CID 108894077
1-(7-hydroxynaphthalen-1-yl)-3-naphthalen-2-ylurea
CID 90803525
1-(4-tert-butylphenyl)-3-naphthalen-2-ylurea
CID 108884834
1-(6-hydroxynaphthalen-1-yl)-3-naphthalen-2-ylurea
CID 91060621
N-naphthalen-2-ylcarbamoyl bromide
CID 115193346
1-(3,5-dihydroxyphenyl)-3-(3,4-dimethylphenyl)urea
CID 108895471
1-(2,4-dibromo-7-hydroxynaphthalen-1-yl)-3-naphthalen-2-ylurea
CID 90741170
1-naphthalen-2-yl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
CID 48746862
1-(3,5-dihydroxyphenyl)-3-(3-methoxyphenyl)urea
CID 108895444
1-(2-methyl-3H-indol-6-yl)-3-naphthalen-2-ylurea
CID 164971950
1-naphthalen-2-yl-3-(pyridin-2-ylamino)urea
CID 6611623

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dihydroxyphenyl)-3-naphthalen-2-ylurea?
The IUPAC name of 1-(3,5-dihydroxyphenyl)-3-naphthalen-2-ylurea (CID 108895519) is 1-(3,5-dihydroxyphenyl)-3-naphthalen-2-ylurea.
What is the SMILES notation for 1-(3,5-dihydroxyphenyl)-3-naphthalen-2-ylurea?
The canonical SMILES for 1-(3,5-dihydroxyphenyl)-3-naphthalen-2-ylurea is O=C(Nc1cc(O)cc(O)c1)Nc1ccc2ccccc2c1.
What is the InChIKey of 1-(3,5-dihydroxyphenyl)-3-naphthalen-2-ylurea?
The InChIKey is UVPKLSVCABCLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c20-15-8-14(9-16(21)10-15)19-17(22)18-13-6-5-11-3-1-2-4-12(11)7-13/h1-10,20-21H,(H2,18,19,22).
What are the key properties of 1-(3,5-dihydroxyphenyl)-3-naphthalen-2-ylurea?
1-(3,5-dihydroxyphenyl)-3-naphthalen-2-ylurea has a molecular weight of 294.31 g/mol, XLogP of 3.89, 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-naphthalen-2-ylurea is sourced from PubChem (CID 108895519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).