[1-[4-(4-methoxyphenyl)phenyl]cyclopropyl]carbamic acid

C17H17NO3 — CID 121483236

IUPAC[1-[4-(4-methoxyphenyl)phenyl]cyclopropyl]carbamic acid
SMILESCOc1ccc(-c2ccc(C3(NC(=O)O)CC3)cc2)cc1
InChIInChI=1S/C17H17NO3/c1-21-15-8-4-13(5-9-15)12-2-6-14(7-3-12)17(10-11-17)18-16(19)20/h2-9,18H,10-11H2,1H3,(H,19,20)
InChIKeyAUOBWGKWCLWUBP-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.62
Rot. Bonds4

About [1-[4-(4-methoxyphenyl)phenyl]cyclopropyl]carbamic acid

[1-[4-(4-methoxyphenyl)phenyl]cyclopropyl]carbamic acid (PubChem CID 121483236) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is [1-[4-(4-methoxyphenyl)phenyl]cyclopropyl]carbamic acid.

Molecular Properties

Compound Name[1-[4-(4-methoxyphenyl)phenyl]cyclopropyl]carbamic acid
PubChem CID121483236
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name[1-[4-(4-methoxyphenyl)phenyl]cyclopropyl]carbamic acid
SMILESCOc1ccc(-c2ccc(C3(NC(=O)O)CC3)cc2)cc1
InChIInChI=1S/C17H17NO3/c1-21-15-8-4-13(5-9-15)12-2-6-14(7-3-12)17(10-11-17)18-16(19)20/h2-9,18H,10-11H2,1H3,(H,19,20)
InChIKeyAUOBWGKWCLWUBP-UHFFFAOYSA-N
XLogP3.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl N-[1-(4-methoxyphenyl)cyclopropyl]carbamate
CID 113091172
N-[1-(4-methoxyphenyl)cyclopropyl]propanamide
CID 113091106
[1-[4-[4-(3-methoxypropyl)phenyl]phenyl]cyclopropyl]carbamic acid
CID 90046936
N-[1-(4-fluorophenyl)cyclopropyl]-4-methoxybenzamide
CID 110440290
1,1-diethyl-3-[1-(4-methoxyphenyl)cyclopropyl]urea
CID 113215626
N-[1-(4-methoxyphenyl)cyclopropyl]-2-phenoxyacetamide
CID 113091147
1-[1-(4-methoxyphenyl)cyclopropyl]-3-[(3-methylphenyl)methyl]urea
CID 113215580
N-[1-(4-methoxyphenyl)cyclopropyl]-3-phenoxypropanamide
CID 113091150
2-hydroxy-4-methoxy-N-[1-(4-methoxyphenyl)cyclopropyl]benzamide
CID 139011396
N-[1-(4-methoxyphenyl)cyclobutyl]cyclopropanecarboxamide
CID 110478167
N-[1-(4-methoxyphenyl)cyclobutyl]-3-oxobutanamide
CID 110477390
N-[1-(4-methoxyphenyl)cyclohexyl]-2-methylpropanamide
CID 110478522

Frequently Asked Questions

What is the IUPAC name of [1-[4-(4-methoxyphenyl)phenyl]cyclopropyl]carbamic acid?
The IUPAC name of [1-[4-(4-methoxyphenyl)phenyl]cyclopropyl]carbamic acid (CID 121483236) is [1-[4-(4-methoxyphenyl)phenyl]cyclopropyl]carbamic acid.
What is the SMILES notation for [1-[4-(4-methoxyphenyl)phenyl]cyclopropyl]carbamic acid?
The canonical SMILES for [1-[4-(4-methoxyphenyl)phenyl]cyclopropyl]carbamic acid is COc1ccc(-c2ccc(C3(NC(=O)O)CC3)cc2)cc1.
What is the InChIKey of [1-[4-(4-methoxyphenyl)phenyl]cyclopropyl]carbamic acid?
The InChIKey is AUOBWGKWCLWUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-21-15-8-4-13(5-9-15)12-2-6-14(7-3-12)17(10-11-17)18-16(19)20/h2-9,18H,10-11H2,1H3,(H,19,20).
What are the key properties of [1-[4-(4-methoxyphenyl)phenyl]cyclopropyl]carbamic acid?
[1-[4-(4-methoxyphenyl)phenyl]cyclopropyl]carbamic acid has a molecular weight of 283.33 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(4-methoxyphenyl)phenyl]cyclopropyl]carbamic acid is sourced from PubChem (CID 121483236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).