(2-methoxyphenyl)methyl 2-methylpentanoate

C14H20O3 — CID 78842249

IUPAC(2-methoxyphenyl)methyl 2-methylpentanoate
SMILESCCCC(C)C(=O)OCc1ccccc1OC
InChIInChI=1S/C14H20O3/c1-4-7-11(2)14(15)17-10-12-8-5-6-9-13(12)16-3/h5-6,8-9,11H,4,7,10H2,1-3H3
InChIKeyPVYZMYKBOVICGM-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.17
Rot. Bonds6

About (2-methoxyphenyl)methyl 2-methylpentanoate

(2-methoxyphenyl)methyl 2-methylpentanoate (PubChem CID 78842249) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is (2-methoxyphenyl)methyl 2-methylpentanoate.

Molecular Properties

Compound Name(2-methoxyphenyl)methyl 2-methylpentanoate
PubChem CID78842249
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name(2-methoxyphenyl)methyl 2-methylpentanoate
SMILESCCCC(C)C(=O)OCc1ccccc1OC
InChIInChI=1S/C14H20O3/c1-4-7-11(2)14(15)17-10-12-8-5-6-9-13(12)16-3/h5-6,8-9,11H,4,7,10H2,1-3H3
InChIKeyPVYZMYKBOVICGM-UHFFFAOYSA-N
XLogP3.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methoxyphenyl)methyl 2-[[1-[(2-methoxyphenyl)methoxy]-1-oxopropan-2-yl]disulfanyl]propanoate
CID 22418608
2-methylpentyl 2-(2-methoxyphenyl)acetate
CID 129279384
1-O-ethyl 2-O-[(2-methoxyphenyl)methyl] benzene-1,2-dicarboxylate
CID 91719915
(2-methoxyphenyl)methyl 3-cyanobutanoate
CID 112509968
(2-methylphenyl) 2-methylpentanoate
CID 68905872
2-amino-N-[2-(2-methoxyphenyl)ethyl]pentanamide
CID 113228128
(2-fluorophenyl) 2-methylpentanoate
CID 78777060
(2-methoxyphenyl)methyl 4-hydroxybenzoate
CID 7777293
methyl (2S)-2-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]hexanoate
CID 97308730
ethyl (2R,3S)-3-amino-4-(2-methoxyphenyl)-2-methylbutanoate
CID 124526085
3-ethoxy-1-(2-methoxyphenyl)hexan-2-one
CID 116707998
1-O-heptyl 4-O-[(2-methoxyphenyl)methyl] butanedioate
CID 91715717

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)methyl 2-methylpentanoate?
The IUPAC name of (2-methoxyphenyl)methyl 2-methylpentanoate (CID 78842249) is (2-methoxyphenyl)methyl 2-methylpentanoate.
What is the SMILES notation for (2-methoxyphenyl)methyl 2-methylpentanoate?
The canonical SMILES for (2-methoxyphenyl)methyl 2-methylpentanoate is CCCC(C)C(=O)OCc1ccccc1OC.
What is the InChIKey of (2-methoxyphenyl)methyl 2-methylpentanoate?
The InChIKey is PVYZMYKBOVICGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-4-7-11(2)14(15)17-10-12-8-5-6-9-13(12)16-3/h5-6,8-9,11H,4,7,10H2,1-3H3.
What are the key properties of (2-methoxyphenyl)methyl 2-methylpentanoate?
(2-methoxyphenyl)methyl 2-methylpentanoate has a molecular weight of 236.31 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)methyl 2-methylpentanoate is sourced from PubChem (CID 78842249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).