1-(7-hydroxynaphthalen-1-yl)-3-(3-methoxyphenyl)urea

C18H16N2O3 — CID 54581580

IUPAC1-(7-hydroxynaphthalen-1-yl)-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2cccc3ccc(O)cc23)c1
InChIInChI=1S/C18H16N2O3/c1-23-15-6-3-5-13(10-15)19-18(22)20-17-7-2-4-12-8-9-14(21)11-16(12)17/h2-11,21H,1H3,(H2,19,20,22)
InChIKeyBXPQTDGUQHQCEM-UHFFFAOYSA-N
MW308.34 g/mol
LogP4.20
Rot. Bonds3

About 1-(7-hydroxynaphthalen-1-yl)-3-(3-methoxyphenyl)urea

1-(7-hydroxynaphthalen-1-yl)-3-(3-methoxyphenyl)urea (PubChem CID 54581580) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 1-(7-hydroxynaphthalen-1-yl)-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(7-hydroxynaphthalen-1-yl)-3-(3-methoxyphenyl)urea
PubChem CID54581580
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name1-(7-hydroxynaphthalen-1-yl)-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2cccc3ccc(O)cc23)c1
InChIInChI=1S/C18H16N2O3/c1-23-15-6-3-5-13(10-15)19-18(22)20-17-7-2-4-12-8-9-14(21)11-16(12)17/h2-11,21H,1H3,(H2,19,20,22)
InChIKeyBXPQTDGUQHQCEM-UHFFFAOYSA-N
XLogP4.20
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(7-hydroxynaphthalen-1-yl)-3-(3-methoxyphenyl)urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(7-hydroxynaphthalen-1-yl)-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-(7-hydroxynaphthalen-1-yl)-3-(3-methoxyphenyl)urea (CID 54581580) is 1-(7-hydroxynaphthalen-1-yl)-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-(7-hydroxynaphthalen-1-yl)-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-(7-hydroxynaphthalen-1-yl)-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)Nc2cccc3ccc(O)cc23)c1.
What is the InChIKey of 1-(7-hydroxynaphthalen-1-yl)-3-(3-methoxyphenyl)urea?
The InChIKey is BXPQTDGUQHQCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-23-15-6-3-5-13(10-15)19-18(22)20-17-7-2-4-12-8-9-14(21)11-16(12)17/h2-11,21H,1H3,(H2,19,20,22).
What are the key properties of 1-(7-hydroxynaphthalen-1-yl)-3-(3-methoxyphenyl)urea?
1-(7-hydroxynaphthalen-1-yl)-3-(3-methoxyphenyl)urea has a molecular weight of 308.34 g/mol, XLogP of 4.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-hydroxynaphthalen-1-yl)-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 54581580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).