1-(2-methoxyphenyl)-4-methylpentan-3-one

C13H18O2 — CID 58133956

IUPAC1-(2-methoxyphenyl)-4-methylpentan-3-one
SMILESCOc1ccccc1CCC(=O)C(C)C
InChIInChI=1S/C13H18O2/c1-10(2)12(14)9-8-11-6-4-5-7-13(11)15-3/h4-7,10H,8-9H2,1-3H3
InChIKeyHEKZXOMDRIQVMT-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.85
Rot. Bonds5

About 1-(2-methoxyphenyl)-4-methylpentan-3-one

1-(2-methoxyphenyl)-4-methylpentan-3-one (PubChem CID 58133956) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-methylpentan-3-one.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-methylpentan-3-one
PubChem CID58133956
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name1-(2-methoxyphenyl)-4-methylpentan-3-one
SMILESCOc1ccccc1CCC(=O)C(C)C
InChIInChI=1S/C13H18O2/c1-10(2)12(14)9-8-11-6-4-5-7-13(11)15-3/h4-7,10H,8-9H2,1-3H3
InChIKeyHEKZXOMDRIQVMT-UHFFFAOYSA-N
XLogP2.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

sodium 3-(2-methoxyphenyl)propanoate
CID 141006192
3-(2-methoxyphenyl)-N-sulfanylpropanamide
CID 134582208
5-(2-methoxyphenyl)pentanoic acid
CID 25050817
N,3-bis(2-methoxyphenyl)propanamide
CID 17394407
3-(2-methoxyphenyl)-N-phenylpropanamide
CID 7732837
N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 78779677
N-[(2R)-2-(ethylamino)propyl]-3-(2-methoxyphenyl)propanamide
CID 120652535
(2S)-2-[3-(2-methoxyphenyl)propanoylamino]-3-methylpentanoic acid
CID 61172911
1-(3,4-dimethoxyphenyl)-4-methylpentan-3-one
CID 64503586
7-(2-methoxyphenyl)heptanoic acid
CID 59451681
(2R)-2-amino-N-[2-(2-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119270019
2-[3-(2-methoxyphenyl)propanoylamino]acetic acid
CID 43091942

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-methylpentan-3-one?
The IUPAC name of 1-(2-methoxyphenyl)-4-methylpentan-3-one (CID 58133956) is 1-(2-methoxyphenyl)-4-methylpentan-3-one.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-methylpentan-3-one?
The canonical SMILES for 1-(2-methoxyphenyl)-4-methylpentan-3-one is COc1ccccc1CCC(=O)C(C)C.
What is the InChIKey of 1-(2-methoxyphenyl)-4-methylpentan-3-one?
The InChIKey is HEKZXOMDRIQVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-10(2)12(14)9-8-11-6-4-5-7-13(11)15-3/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-4-methylpentan-3-one?
1-(2-methoxyphenyl)-4-methylpentan-3-one has a molecular weight of 206.29 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-methylpentan-3-one is sourced from PubChem (CID 58133956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).