1-[3-(hydroxymethyl)phenyl]-3-(7-hydroxynaphthalen-1-yl)urea

C18H16N2O3 — CID 54583544

IUPAC1-[3-(hydroxymethyl)phenyl]-3-(7-hydroxynaphthalen-1-yl)urea
SMILESO=C(Nc1cccc(CO)c1)Nc1cccc2ccc(O)cc12
InChIInChI=1S/C18H16N2O3/c21-11-12-3-1-5-14(9-12)19-18(23)20-17-6-2-4-13-7-8-15(22)10-16(13)17/h1-10,21-22H,11H2,(H2,19,20,23)
InChIKeyCCXXSCKGDKOFJV-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.68
Rot. Bonds3

About 1-[3-(hydroxymethyl)phenyl]-3-(7-hydroxynaphthalen-1-yl)urea

1-[3-(hydroxymethyl)phenyl]-3-(7-hydroxynaphthalen-1-yl)urea (PubChem CID 54583544) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)phenyl]-3-(7-hydroxynaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)phenyl]-3-(7-hydroxynaphthalen-1-yl)urea
PubChem CID54583544
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name1-[3-(hydroxymethyl)phenyl]-3-(7-hydroxynaphthalen-1-yl)urea
SMILESO=C(Nc1cccc(CO)c1)Nc1cccc2ccc(O)cc12
InChIInChI=1S/C18H16N2O3/c21-11-12-3-1-5-14(9-12)19-18(23)20-17-6-2-4-13-7-8-15(22)10-16(13)17/h1-10,21-22H,11H2,(H2,19,20,23)
InChIKeyCCXXSCKGDKOFJV-UHFFFAOYSA-N
XLogP3.68
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-Acetamido-7-naphthol
CID 80946
N-(7-hydroxy-1-naphthyl)-N'-[3-(methylthio)phenyl]urea
CID 3684843
N-(5-Hydroxy-1-naphthalenyl)-N'-phenylurea
CID 4432275
Diarylurea deriv. 1a
CID 5330587
1-(3-(2-(2-Hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethylamino)ethyl)phenyl)-3-phenylurea
CID 44237667
1-(4-Fluoro-3-nitrophenyl)-3-(5-hydroxy-1-naphthyl)urea
CID 3576484
1-Benzyl-3-(7-hydroxynaphthalen-1-yl)urea
CID 5330591
3-(5-Chloro-2-methylphenyl)-1-(7-hydroxynaphthalen-1-yl)urea
CID 307545
1-(7-Hydroxy-naphthalen-1-yl)-3-(4-trifluoromethyl-benzyl)-urea
CID 10089889
1-(7-Hydroxy-naphthalen-1-yl)-3-(4-trifluoromethoxy-benzyl)-urea
CID 10090920
[4-(Naphthalen-1-ylcarbamoylamino)phenyl] sulfamate
CID 70692551
1-(7-Hydroxynaphthalen-1-yl)-3-(3-(trifluoromethyl)phenyl)urea
CID 310417

Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)phenyl]-3-(7-hydroxynaphthalen-1-yl)urea?
The IUPAC name of 1-[3-(hydroxymethyl)phenyl]-3-(7-hydroxynaphthalen-1-yl)urea (CID 54583544) is 1-[3-(hydroxymethyl)phenyl]-3-(7-hydroxynaphthalen-1-yl)urea.
What is the SMILES notation for 1-[3-(hydroxymethyl)phenyl]-3-(7-hydroxynaphthalen-1-yl)urea?
The canonical SMILES for 1-[3-(hydroxymethyl)phenyl]-3-(7-hydroxynaphthalen-1-yl)urea is O=C(Nc1cccc(CO)c1)Nc1cccc2ccc(O)cc12.
What is the InChIKey of 1-[3-(hydroxymethyl)phenyl]-3-(7-hydroxynaphthalen-1-yl)urea?
The InChIKey is CCXXSCKGDKOFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c21-11-12-3-1-5-14(9-12)19-18(23)20-17-6-2-4-13-7-8-15(22)10-16(13)17/h1-10,21-22H,11H2,(H2,19,20,23).
What are the key properties of 1-[3-(hydroxymethyl)phenyl]-3-(7-hydroxynaphthalen-1-yl)urea?
1-[3-(hydroxymethyl)phenyl]-3-(7-hydroxynaphthalen-1-yl)urea has a molecular weight of 308.34 g/mol, XLogP of 3.68, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)phenyl]-3-(7-hydroxynaphthalen-1-yl)urea is sourced from PubChem (CID 54583544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).