[4-(2-phenylethoxy)phenyl]methyl carbamate

C16H17NO3 — CID 141040425

IUPAC[4-(2-phenylethoxy)phenyl]methyl carbamate
SMILESNC(=O)OCc1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C16H17NO3/c17-16(18)20-12-14-6-8-15(9-7-14)19-11-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H2,17,18)
InChIKeyWLZTXSUAMWGKKU-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.90
Rot. Bonds6

About [4-(2-phenylethoxy)phenyl]methyl carbamate

[4-(2-phenylethoxy)phenyl]methyl carbamate (PubChem CID 141040425) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is [4-(2-phenylethoxy)phenyl]methyl carbamate.

Molecular Properties

Compound Name[4-(2-phenylethoxy)phenyl]methyl carbamate
PubChem CID141040425
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name[4-(2-phenylethoxy)phenyl]methyl carbamate
SMILESNC(=O)OCc1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C16H17NO3/c17-16(18)20-12-14-6-8-15(9-7-14)19-11-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H2,17,18)
InChIKeyWLZTXSUAMWGKKU-UHFFFAOYSA-N
XLogP2.90
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-phenylmethoxyphenoxy)ethyl carbamate
CID 175203951
benzyl carbamate;heptahydrochloride
CID 141351835
2-(4-phenylmethoxyphenyl)ethyl butanoate
CID 67494063
(4-phenylphenyl)methyl carbamate
CID 123751479
[4-[2-[4-(benzoyloxymethyl)phenoxy]ethoxy]phenyl]methyl benzoate
CID 175261342
1-(2-phenylethoxy)-4-propylbenzene
CID 70483798
2-oxo-2-[(4-phenylmethoxyphenyl)methoxy]acetic acid
CID 57045753
bis[(4-phenylmethoxyphenyl)methyl] propanedioate
CID 57028067
1-phenoxy-4-[2-(4-phenoxyphenoxy)ethyl]benzene
CID 130400104
4-(4-phenylbutoxy)benzamide
CID 11963163
3-[3-[4-[2-(4-phenylmethoxyphenyl)ethoxy]phenyl]propylamino]propanoic acid
CID 23121054
3-amino-2-[4-(2-phenylethoxy)phenyl]propanoic acid
CID 121229070

Frequently Asked Questions

What is the IUPAC name of [4-(2-phenylethoxy)phenyl]methyl carbamate?
The IUPAC name of [4-(2-phenylethoxy)phenyl]methyl carbamate (CID 141040425) is [4-(2-phenylethoxy)phenyl]methyl carbamate.
What is the SMILES notation for [4-(2-phenylethoxy)phenyl]methyl carbamate?
The canonical SMILES for [4-(2-phenylethoxy)phenyl]methyl carbamate is NC(=O)OCc1ccc(OCCc2ccccc2)cc1.
What is the InChIKey of [4-(2-phenylethoxy)phenyl]methyl carbamate?
The InChIKey is WLZTXSUAMWGKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c17-16(18)20-12-14-6-8-15(9-7-14)19-11-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H2,17,18).
What are the key properties of [4-(2-phenylethoxy)phenyl]methyl carbamate?
[4-(2-phenylethoxy)phenyl]methyl carbamate has a molecular weight of 271.32 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-phenylethoxy)phenyl]methyl carbamate is sourced from PubChem (CID 141040425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).