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

C19H18N2O3 — CID 54586431

IUPAC1-[3-(1-hydroxyethyl)phenyl]-3-(7-hydroxynaphthalen-1-yl)urea
SMILESCC(O)c1cccc(NC(=O)Nc2cccc3ccc(O)cc23)c1
InChIInChI=1S/C19H18N2O3/c1-12(22)14-5-2-6-15(10-14)20-19(24)21-18-7-3-4-13-8-9-16(23)11-17(13)18/h2-12,22-23H,1H3,(H2,20,21,24)
InChIKeyROPUPEBCTFSKMQ-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.24
Rot. Bonds3

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

1-[3-(1-hydroxyethyl)phenyl]-3-(7-hydroxynaphthalen-1-yl)urea (PubChem CID 54586431) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 1-[3-(1-hydroxyethyl)phenyl]-3-(7-hydroxynaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-[3-(1-hydroxyethyl)phenyl]-3-(7-hydroxynaphthalen-1-yl)urea
PubChem CID54586431
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name1-[3-(1-hydroxyethyl)phenyl]-3-(7-hydroxynaphthalen-1-yl)urea
SMILESCC(O)c1cccc(NC(=O)Nc2cccc3ccc(O)cc23)c1
InChIInChI=1S/C19H18N2O3/c1-12(22)14-5-2-6-15(10-14)20-19(24)21-18-7-3-4-13-8-9-16(23)11-17(13)18/h2-12,22-23H,1H3,(H2,20,21,24)
InChIKeyROPUPEBCTFSKMQ-UHFFFAOYSA-N
XLogP4.24
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-hydroxyethyl)phenyl]-3-(7-hydroxynaphthalen-1-yl)urea?
The IUPAC name of 1-[3-(1-hydroxyethyl)phenyl]-3-(7-hydroxynaphthalen-1-yl)urea (CID 54586431) is 1-[3-(1-hydroxyethyl)phenyl]-3-(7-hydroxynaphthalen-1-yl)urea.
What is the SMILES notation for 1-[3-(1-hydroxyethyl)phenyl]-3-(7-hydroxynaphthalen-1-yl)urea?
The canonical SMILES for 1-[3-(1-hydroxyethyl)phenyl]-3-(7-hydroxynaphthalen-1-yl)urea is CC(O)c1cccc(NC(=O)Nc2cccc3ccc(O)cc23)c1.
What is the InChIKey of 1-[3-(1-hydroxyethyl)phenyl]-3-(7-hydroxynaphthalen-1-yl)urea?
The InChIKey is ROPUPEBCTFSKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12(22)14-5-2-6-15(10-14)20-19(24)21-18-7-3-4-13-8-9-16(23)11-17(13)18/h2-12,22-23H,1H3,(H2,20,21,24).
What are the key properties of 1-[3-(1-hydroxyethyl)phenyl]-3-(7-hydroxynaphthalen-1-yl)urea?
1-[3-(1-hydroxyethyl)phenyl]-3-(7-hydroxynaphthalen-1-yl)urea has a molecular weight of 322.36 g/mol, XLogP of 4.24, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-hydroxyethyl)phenyl]-3-(7-hydroxynaphthalen-1-yl)urea is sourced from PubChem (CID 54586431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).