1-(4-hydroxynaphthalen-1-yl)-3-phenylurea

C17H14N2O2 — CID 16738603

IUPAC1-(4-hydroxynaphthalen-1-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(O)c2ccccc12
InChIInChI=1S/C17H14N2O2/c20-16-11-10-15(13-8-4-5-9-14(13)16)19-17(21)18-12-6-2-1-3-7-12/h1-11,20H,(H2,18,19,21)
InChIKeyXRFJYELKSPKALL-UHFFFAOYSA-N
MW278.31 g/mol
LogP4.19
Rot. Bonds2

About 1-(4-hydroxynaphthalen-1-yl)-3-phenylurea

1-(4-hydroxynaphthalen-1-yl)-3-phenylurea (PubChem CID 16738603) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-(4-hydroxynaphthalen-1-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(4-hydroxynaphthalen-1-yl)-3-phenylurea
PubChem CID16738603
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name1-(4-hydroxynaphthalen-1-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(O)c2ccccc12
InChIInChI=1S/C17H14N2O2/c20-16-11-10-15(13-8-4-5-9-14(13)16)19-17(21)18-12-6-2-1-3-7-12/h1-11,20H,(H2,18,19,21)
InChIKeyXRFJYELKSPKALL-UHFFFAOYSA-N
XLogP4.19
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxynaphthalen-1-yl)-3-phenylurea?
The IUPAC name of 1-(4-hydroxynaphthalen-1-yl)-3-phenylurea (CID 16738603) is 1-(4-hydroxynaphthalen-1-yl)-3-phenylurea.
What is the SMILES notation for 1-(4-hydroxynaphthalen-1-yl)-3-phenylurea?
The canonical SMILES for 1-(4-hydroxynaphthalen-1-yl)-3-phenylurea is O=C(Nc1ccccc1)Nc1ccc(O)c2ccccc12.
What is the InChIKey of 1-(4-hydroxynaphthalen-1-yl)-3-phenylurea?
The InChIKey is XRFJYELKSPKALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c20-16-11-10-15(13-8-4-5-9-14(13)16)19-17(21)18-12-6-2-1-3-7-12/h1-11,20H,(H2,18,19,21).
What are the key properties of 1-(4-hydroxynaphthalen-1-yl)-3-phenylurea?
1-(4-hydroxynaphthalen-1-yl)-3-phenylurea has a molecular weight of 278.31 g/mol, XLogP of 4.19, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxynaphthalen-1-yl)-3-phenylurea is sourced from PubChem (CID 16738603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).