1-(4-hydroxyphenyl)-3-(1-phenylcyclopropyl)urea

C16H16N2O2 — CID 110469255

IUPAC1-(4-hydroxyphenyl)-3-(1-phenylcyclopropyl)urea
SMILESO=C(Nc1ccc(O)cc1)NC1(c2ccccc2)CC1
InChIInChI=1S/C16H16N2O2/c19-14-8-6-13(7-9-14)17-15(20)18-16(10-11-16)12-4-2-1-3-5-12/h1-9,19H,10-11H2,(H2,17,18,20)
InChIKeyKEJMOYVEOZHJQX-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.20
Rot. Bonds3

About 1-(4-hydroxyphenyl)-3-(1-phenylcyclopropyl)urea

1-(4-hydroxyphenyl)-3-(1-phenylcyclopropyl)urea (PubChem CID 110469255) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-3-(1-phenylcyclopropyl)urea.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-3-(1-phenylcyclopropyl)urea
PubChem CID110469255
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name1-(4-hydroxyphenyl)-3-(1-phenylcyclopropyl)urea
SMILESO=C(Nc1ccc(O)cc1)NC1(c2ccccc2)CC1
InChIInChI=1S/C16H16N2O2/c19-14-8-6-13(7-9-14)17-15(20)18-16(10-11-16)12-4-2-1-3-5-12/h1-9,19H,10-11H2,(H2,17,18,20)
InChIKeyKEJMOYVEOZHJQX-UHFFFAOYSA-N
XLogP3.20
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-tert-butylphenyl)-3-(1-phenylcyclopropyl)urea
CID 113215100
1-(4-phenoxyphenyl)-3-(1-phenylcyclopropyl)urea
CID 113215141
1-(1-phenylcyclopropyl)-3-(4-phenylmethoxyphenyl)urea
CID 113215142
1-[1-(3-aminophenyl)cyclopropyl]-3-phenylurea
CID 110491033
1-[1-(4-methylphenyl)cyclopropyl]-3-(4-phenylmethoxyphenyl)urea
CID 113215329
1-(2,6-dimethylphenyl)-3-(1-phenylcyclopropyl)urea
CID 110469284
1-(3-chloro-4-fluorophenyl)-3-(1-phenylcyclobutyl)urea
CID 113216996
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1-phenylcyclopropyl)urea
CID 113215154
1-(3-methoxyphenyl)-3-(1-phenylcyclopropyl)urea
CID 113215113
N,N'-bis(1-phenylcyclopropyl)propanediamide
CID 166301287
1-(3-methyl-1-benzofuran-5-yl)-3-(1-phenylcyclopropyl)urea
CID 139008434
1-(4-bromophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea
CID 113215296

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-3-(1-phenylcyclopropyl)urea?
The IUPAC name of 1-(4-hydroxyphenyl)-3-(1-phenylcyclopropyl)urea (CID 110469255) is 1-(4-hydroxyphenyl)-3-(1-phenylcyclopropyl)urea.
What is the SMILES notation for 1-(4-hydroxyphenyl)-3-(1-phenylcyclopropyl)urea?
The canonical SMILES for 1-(4-hydroxyphenyl)-3-(1-phenylcyclopropyl)urea is O=C(Nc1ccc(O)cc1)NC1(c2ccccc2)CC1.
What is the InChIKey of 1-(4-hydroxyphenyl)-3-(1-phenylcyclopropyl)urea?
The InChIKey is KEJMOYVEOZHJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-14-8-6-13(7-9-14)17-15(20)18-16(10-11-16)12-4-2-1-3-5-12/h1-9,19H,10-11H2,(H2,17,18,20).
What are the key properties of 1-(4-hydroxyphenyl)-3-(1-phenylcyclopropyl)urea?
1-(4-hydroxyphenyl)-3-(1-phenylcyclopropyl)urea has a molecular weight of 268.32 g/mol, XLogP of 3.20, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-3-(1-phenylcyclopropyl)urea is sourced from PubChem (CID 110469255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).