2-(4-phenylphenyl)propyl carbamate

C16H17NO2 — CID 66715133

IUPAC2-(4-phenylphenyl)propyl carbamate
SMILESCC(COC(N)=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H17NO2/c1-12(11-19-16(17)18)13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H2,17,18)
InChIKeyNEHIQMISKYFYJB-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.55
Rot. Bonds4

About 2-(4-phenylphenyl)propyl carbamate

2-(4-phenylphenyl)propyl carbamate (PubChem CID 66715133) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(4-phenylphenyl)propyl carbamate.

Molecular Properties

Compound Name2-(4-phenylphenyl)propyl carbamate
PubChem CID66715133
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-(4-phenylphenyl)propyl carbamate
SMILESCC(COC(N)=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H17NO2/c1-12(11-19-16(17)18)13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H2,17,18)
InChIKeyNEHIQMISKYFYJB-UHFFFAOYSA-N
XLogP3.55
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-2-phenylpropyl] carbamate
CID 175384997
[(2S)-2-(4-bromophenyl)propyl] carbamate
CID 175558973
[(2S)-2-phenylpropyl] acetate
CID 10261650
2-phenylpropyl 2-methylpropanoate
CID 576240
[(2R)-2-phenylpropyl] benzoate
CID 101021839
2-phenylpropyl 2-chloro-2-oxoacetate
CID 57296608
[2-hydroxy-3-(4-phenylphenoxy)propyl] carbamate
CID 165353807
[(2R)-2-(4-methylphenyl)propyl] acetate
CID 11008762
1-[(2R)-1-bromopropan-2-yl]-4-phenylbenzene
CID 124511270
1,1'-biphenyl;propanamide
CID 155213147
(3-carbamoyloxy-2-phenylpropyl) carbamate;hydrate
CID 23581812
(4-phenylphenyl)methyl carbamate
CID 123751479

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)propyl carbamate?
The IUPAC name of 2-(4-phenylphenyl)propyl carbamate (CID 66715133) is 2-(4-phenylphenyl)propyl carbamate.
What is the SMILES notation for 2-(4-phenylphenyl)propyl carbamate?
The canonical SMILES for 2-(4-phenylphenyl)propyl carbamate is CC(COC(N)=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(4-phenylphenyl)propyl carbamate?
The InChIKey is NEHIQMISKYFYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-12(11-19-16(17)18)13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H2,17,18).
What are the key properties of 2-(4-phenylphenyl)propyl carbamate?
2-(4-phenylphenyl)propyl carbamate has a molecular weight of 255.32 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)propyl carbamate is sourced from PubChem (CID 66715133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).