2-(4-phenylmethoxyphenyl)ethyl butanoate

C19H22O3 — CID 67494063

IUPAC2-(4-phenylmethoxyphenyl)ethyl butanoate
SMILESCCCC(=O)OCCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H22O3/c1-2-6-19(20)21-14-13-16-9-11-18(12-10-16)22-15-17-7-4-3-5-8-17/h3-5,7-12H,2,6,13-15H2,1H3
InChIKeyGHJPFQMVQKVEOT-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.15
Rot. Bonds8

About 2-(4-phenylmethoxyphenyl)ethyl butanoate

2-(4-phenylmethoxyphenyl)ethyl butanoate (PubChem CID 67494063) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-(4-phenylmethoxyphenyl)ethyl butanoate.

Molecular Properties

Compound Name2-(4-phenylmethoxyphenyl)ethyl butanoate
PubChem CID67494063
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name2-(4-phenylmethoxyphenyl)ethyl butanoate
SMILESCCCC(=O)OCCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H22O3/c1-2-6-19(20)21-14-13-16-9-11-18(12-10-16)22-15-17-7-4-3-5-8-17/h3-5,7-12H,2,6,13-15H2,1H3
InChIKeyGHJPFQMVQKVEOT-UHFFFAOYSA-N
XLogP4.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-butanoyloxyethyl)phenoxy]acetic acid
CID 153492689
ethyl 11-(4-phenylmethoxyphenoxy)undecanoate
CID 21259961
1-(4-phenylmethoxyphenyl)pentan-3-one
CID 18798710
4-phenylbutyl butanoate
CID 59678642
ethyl 2-oxo-4-(4-phenylmethoxyphenyl)butanoate
CID 19903100
ethyl 4-[4-(phenylmethoxymethyl)phenoxy]butanoate
CID 22340613
1-phenylmethoxy-4-propoxybenzene
CID 10728874
[4-(2-phenylethoxy)phenyl]methyl carbamate
CID 141040425
2-(4-phenylmethoxyphenoxy)ethyl carbamate
CID 175203951
1-(2-phenylethoxy)-4-propylbenzene
CID 70483798
methyl 3-(4-phenylmethoxyphenyl)propanoate;3-(4-phenylmethoxyphenyl)propanoic acid
CID 161360857
methyl hypoiodite;methyl 3-(4-phenylmethoxyphenyl)propanoate
CID 142194241

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylmethoxyphenyl)ethyl butanoate?
The IUPAC name of 2-(4-phenylmethoxyphenyl)ethyl butanoate (CID 67494063) is 2-(4-phenylmethoxyphenyl)ethyl butanoate.
What is the SMILES notation for 2-(4-phenylmethoxyphenyl)ethyl butanoate?
The canonical SMILES for 2-(4-phenylmethoxyphenyl)ethyl butanoate is CCCC(=O)OCCc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-(4-phenylmethoxyphenyl)ethyl butanoate?
The InChIKey is GHJPFQMVQKVEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-2-6-19(20)21-14-13-16-9-11-18(12-10-16)22-15-17-7-4-3-5-8-17/h3-5,7-12H,2,6,13-15H2,1H3.
What are the key properties of 2-(4-phenylmethoxyphenyl)ethyl butanoate?
2-(4-phenylmethoxyphenyl)ethyl butanoate has a molecular weight of 298.38 g/mol, XLogP of 4.15, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylmethoxyphenyl)ethyl butanoate is sourced from PubChem (CID 67494063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).