methyl 4-(3-hydroxyphenyl)butanoate

C11H14O3 — CID 54142007

IUPACmethyl 4-(3-hydroxyphenyl)butanoate
SMILESCOC(=O)CCCc1cccc(O)c1
InChIInChI=1S/C11H14O3/c1-14-11(13)7-3-5-9-4-2-6-10(12)8-9/h2,4,6,8,12H,3,5,7H2,1H3
InChIKeyOBSYWWBZEMMYNU-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.89
Rot. Bonds4

About methyl 4-(3-hydroxyphenyl)butanoate

methyl 4-(3-hydroxyphenyl)butanoate (PubChem CID 54142007) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is methyl 4-(3-hydroxyphenyl)butanoate.

Molecular Properties

Compound Namemethyl 4-(3-hydroxyphenyl)butanoate
PubChem CID54142007
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Namemethyl 4-(3-hydroxyphenyl)butanoate
SMILESCOC(=O)CCCc1cccc(O)c1
InChIInChI=1S/C11H14O3/c1-14-11(13)7-3-5-9-4-2-6-10(12)8-9/h2,4,6,8,12H,3,5,7H2,1H3
InChIKeyOBSYWWBZEMMYNU-UHFFFAOYSA-N
XLogP1.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;5-(3-hydroxyphenyl)pentan-2-one
CID 142810997
methyl N-[3-(3-hydroxyphenyl)propyl]carbamate
CID 110667269
3-[12-(3-hydroxyphenyl)dodecyl]phenol
CID 169297924
ethyl 4-[3-(4-ethoxy-4-oxobutyl)phenyl]butanoate
CID 86073242
methyl 5-[3-(3-hydroxypropyl)phenoxy]pentanoate
CID 10400711
methyl 7-(3-chlorosulfonylphenyl)heptanoate
CID 134247439
methyl 3-[3-(4-hydroxy-2-methylphenyl)phenyl]propanoate
CID 67528095
(2S)-2-[[2-(3-hydroxyphenyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107820137
methyl 4-[4-(2-bromoethyl)phenyl]butanoate
CID 174537803
methyl 3-[3-(methylamino)phenyl]propanoate
CID 119082922
methyl 3-[4-[2-(3-hydroxyphenyl)ethynyl]phenyl]propanoate
CID 58319096
3-octacosylphenol
CID 101292719

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-hydroxyphenyl)butanoate?
The IUPAC name of methyl 4-(3-hydroxyphenyl)butanoate (CID 54142007) is methyl 4-(3-hydroxyphenyl)butanoate.
What is the SMILES notation for methyl 4-(3-hydroxyphenyl)butanoate?
The canonical SMILES for methyl 4-(3-hydroxyphenyl)butanoate is COC(=O)CCCc1cccc(O)c1.
What is the InChIKey of methyl 4-(3-hydroxyphenyl)butanoate?
The InChIKey is OBSYWWBZEMMYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-14-11(13)7-3-5-9-4-2-6-10(12)8-9/h2,4,6,8,12H,3,5,7H2,1H3.
What are the key properties of methyl 4-(3-hydroxyphenyl)butanoate?
methyl 4-(3-hydroxyphenyl)butanoate has a molecular weight of 194.23 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-hydroxyphenyl)butanoate is sourced from PubChem (CID 54142007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).