2-methylpentyl 2-(2-methoxyphenyl)acetate

C15H22O3 — CID 129279384

IUPAC2-methylpentyl 2-(2-methoxyphenyl)acetate
SMILESCCCC(C)COC(=O)Cc1ccccc1OC
InChIInChI=1S/C15H22O3/c1-4-7-12(2)11-18-15(16)10-13-8-5-6-9-14(13)17-3/h5-6,8-9,12H,4,7,10-11H2,1-3H3
InChIKeyOOOLBJUYZNFDDI-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.22
Rot. Bonds7

About 2-methylpentyl 2-(2-methoxyphenyl)acetate

2-methylpentyl 2-(2-methoxyphenyl)acetate (PubChem CID 129279384) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-methylpentyl 2-(2-methoxyphenyl)acetate.

Molecular Properties

Compound Name2-methylpentyl 2-(2-methoxyphenyl)acetate
PubChem CID129279384
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name2-methylpentyl 2-(2-methoxyphenyl)acetate
SMILESCCCC(C)COC(=O)Cc1ccccc1OC
InChIInChI=1S/C15H22O3/c1-4-7-12(2)11-18-15(16)10-13-8-5-6-9-14(13)17-3/h5-6,8-9,12H,4,7,10-11H2,1-3H3
InChIKeyOOOLBJUYZNFDDI-UHFFFAOYSA-N
XLogP3.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-methylpentoxy)phenyl]acetic acid
CID 80740774
(2-methoxyphenyl)methyl 2-methylpentanoate
CID 78842249
butan-2-yl 2-(2-methoxyphenyl)acetate
CID 177225373
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate
CID 25367347
5-O-(2-fluorophenyl) 1-O-(2-methylpentyl) pentanedioate
CID 91709010
3-ethoxy-1-(2-methoxyphenyl)hexan-2-one
CID 116707998
7-amino-1-(2-methoxyphenyl)-5-methylheptan-2-one
CID 116581758
N-(5-amino-4-methylpentyl)-2-(2-methoxyphenyl)acetamide
CID 106152966
2-amino-N-[2-(2-methoxyphenyl)ethyl]pentanamide
CID 113228128
[1-(2-methoxyphenyl)-4-methylheptan-2-yl]hydrazine
CID 105205005
N-(4-aminobutan-2-yl)-2-(2-methoxyphenyl)acetamide
CID 55033188
ethyl (2R,3S)-3-amino-4-(2-methoxyphenyl)-2-methylbutanoate
CID 124526085

Frequently Asked Questions

What is the IUPAC name of 2-methylpentyl 2-(2-methoxyphenyl)acetate?
The IUPAC name of 2-methylpentyl 2-(2-methoxyphenyl)acetate (CID 129279384) is 2-methylpentyl 2-(2-methoxyphenyl)acetate.
What is the SMILES notation for 2-methylpentyl 2-(2-methoxyphenyl)acetate?
The canonical SMILES for 2-methylpentyl 2-(2-methoxyphenyl)acetate is CCCC(C)COC(=O)Cc1ccccc1OC.
What is the InChIKey of 2-methylpentyl 2-(2-methoxyphenyl)acetate?
The InChIKey is OOOLBJUYZNFDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-4-7-12(2)11-18-15(16)10-13-8-5-6-9-14(13)17-3/h5-6,8-9,12H,4,7,10-11H2,1-3H3.
What are the key properties of 2-methylpentyl 2-(2-methoxyphenyl)acetate?
2-methylpentyl 2-(2-methoxyphenyl)acetate has a molecular weight of 250.34 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentyl 2-(2-methoxyphenyl)acetate is sourced from PubChem (CID 129279384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).