methyl 2-(4-phenoxyphenyl)butanoate

C17H18O3 — CID 141066175

IUPACmethyl 2-(4-phenoxyphenyl)butanoate
SMILESCCC(C(=O)OC)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H18O3/c1-3-16(17(18)19-2)13-9-11-15(12-10-13)20-14-7-5-4-6-8-14/h4-12,16H,3H2,1-2H3
InChIKeyXXVMSCUOGYMOAF-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.15
Rot. Bonds5

About methyl 2-(4-phenoxyphenyl)butanoate

methyl 2-(4-phenoxyphenyl)butanoate (PubChem CID 141066175) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is methyl 2-(4-phenoxyphenyl)butanoate.

Molecular Properties

Compound Namemethyl 2-(4-phenoxyphenyl)butanoate
PubChem CID141066175
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Namemethyl 2-(4-phenoxyphenyl)butanoate
SMILESCCC(C(=O)OC)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H18O3/c1-3-16(17(18)19-2)13-9-11-15(12-10-13)20-14-7-5-4-6-8-14/h4-12,16H,3H2,1-2H3
InChIKeyXXVMSCUOGYMOAF-UHFFFAOYSA-N
XLogP4.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[4-(5-acetylfuran-2-yl)oxyphenyl]butanoate
CID 3063118
aminomethyl 2-phenylbutanoate
CID 175260963
formaldehyde;bis(phenyl 2-phenylbutanoate)
CID 174580951
methyl (2R)-2-[4-(4-hydroxyphenyl)phenyl]butanoate
CID 124565179
methyl (3S)-3-amino-3-(4-phenoxyphenyl)propanoate
CID 171242566
2-(3-phenoxyphenyl)butanoic acid
CID 69314878
methyl (2R)-3-amino-2-phenylpropanoate
CID 7183129
amino 2-phenylbutanoate
CID 21430295
methyl (3R)-3-amino-3-(4-phenoxyphenyl)propanoate;hydrochloride
CID 171249296
(2S)-2-(4-methoxyphenyl)-1-phenylbutan-1-one
CID 93090141
methyl 2-[4-(1,1-difluoroethyl)phenyl]butanoate
CID 116991865
methyl 3-[ethyl(methyl)amino]-2-phenylpropanoate
CID 64567687

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-phenoxyphenyl)butanoate?
The IUPAC name of methyl 2-(4-phenoxyphenyl)butanoate (CID 141066175) is methyl 2-(4-phenoxyphenyl)butanoate.
What is the SMILES notation for methyl 2-(4-phenoxyphenyl)butanoate?
The canonical SMILES for methyl 2-(4-phenoxyphenyl)butanoate is CCC(C(=O)OC)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of methyl 2-(4-phenoxyphenyl)butanoate?
The InChIKey is XXVMSCUOGYMOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-3-16(17(18)19-2)13-9-11-15(12-10-13)20-14-7-5-4-6-8-14/h4-12,16H,3H2,1-2H3.
What are the key properties of methyl 2-(4-phenoxyphenyl)butanoate?
methyl 2-(4-phenoxyphenyl)butanoate has a molecular weight of 270.33 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-phenoxyphenyl)butanoate is sourced from PubChem (CID 141066175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).