methyl 3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]propanoate

C16H24O3 — CID 14401625

IUPACmethyl 3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]propanoate
SMILESCOC(=O)CCc1cc(C(C)C)c(O)c(C(C)C)c1
InChIInChI=1S/C16H24O3/c1-10(2)13-8-12(6-7-15(17)19-5)9-14(11(3)4)16(13)18/h8-11,18H,6-7H2,1-5H3
InChIKeyQXSGOGZVOVHWEE-UHFFFAOYSA-N
MW264.36 g/mol
LogP3.74
Rot. Bonds5

About methyl 3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]propanoate

methyl 3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]propanoate (PubChem CID 14401625) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is methyl 3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]propanoate
PubChem CID14401625
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Namemethyl 3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]propanoate
SMILESCOC(=O)CCc1cc(C(C)C)c(O)c(C(C)C)c1
InChIInChI=1S/C16H24O3/c1-10(2)13-8-12(6-7-15(17)19-5)9-14(11(3)4)16(13)18/h8-11,18H,6-7H2,1-5H3
InChIKeyQXSGOGZVOVHWEE-UHFFFAOYSA-N
XLogP3.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[3-ethyl-4-hydroxy-5-(2-methylpropyl)phenyl]propanoate
CID 160571031
4-[2-[2-[4-hydroxy-3,5-di(propan-2-yl)phenyl]ethoxy]ethyl]-2,6-di(propan-2-yl)phenol
CID 141231732
[2-[3-tert-butyl-5-[3-[2-[3-tert-butyl-5-[3-[2-[3-tert-butyl-2-hydroxy-5-(3-oxo-3-propan-2-yloxypropyl)phenyl]-2-methylpropoxy]-3-oxopropyl]-2-hydroxyphenyl]-2-methylpropoxy]-3-oxopropyl]-2-hydroxyphenyl]-2-methylpropyl] 3-(3-tert-butyl-4-hydroxy-5-propan-2-ylphenyl)propanoate
CID 134552346
methyl 3-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]propanoate
CID 54045829
methyl 3-[4-hydroxy-3,5-bis[(4-methylphenyl)sulfanyl]phenyl]propanoate
CID 101010779
[3-[3-(3-butyl-4-hydroxy-5-propan-2-ylphenyl)propanoyloxy]-2,2-bis[3-(3-butyl-4-hydroxy-5-propan-2-ylphenyl)propanoyloxymethyl]propyl] 3-(3-butyl-4-hydroxy-5-propan-2-ylphenyl)propanoate
CID 20544399
methyl 3-[3-fluoro-5-(1-formyloxyethyl)phenyl]propanoate
CID 175573916
methyl 3-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propanoate
CID 82552820
methyl 3-(3-hydroxy-4-methylphenyl)propanoate
CID 20742465
[3-[3-(3-tert-butyl-4-hydroxy-5-propan-2-ylphenyl)propanoyloxy]-3-methylbutyl] 3-(3-tert-butyl-4-hydroxy-5-propan-2-ylphenyl)propanoate
CID 91272365
methyl 3-(3-tert-butyl-4-hydroxy-5-nitrosophenyl)propanoate
CID 176898072
2-[3-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethoxy]propoxy]ethyl 3-(3-ethyl-4-hydroxy-5-propan-2-ylphenyl)propanoate
CID 58500719

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]propanoate?
The IUPAC name of methyl 3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]propanoate (CID 14401625) is methyl 3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]propanoate.
What is the SMILES notation for methyl 3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]propanoate?
The canonical SMILES for methyl 3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]propanoate is COC(=O)CCc1cc(C(C)C)c(O)c(C(C)C)c1.
What is the InChIKey of methyl 3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]propanoate?
The InChIKey is QXSGOGZVOVHWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-10(2)13-8-12(6-7-15(17)19-5)9-14(11(3)4)16(13)18/h8-11,18H,6-7H2,1-5H3.
What are the key properties of methyl 3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]propanoate?
methyl 3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]propanoate has a molecular weight of 264.36 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]propanoate is sourced from PubChem (CID 14401625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).