1-(3-methoxyphenyl)-3-(2-methylphenyl)propan-2-one

C17H18O2 — CID 61263840

IUPAC1-(3-methoxyphenyl)-3-(2-methylphenyl)propan-2-one
SMILESCOc1cccc(CC(=O)Cc2ccccc2C)c1
InChIInChI=1S/C17H18O2/c1-13-6-3-4-8-15(13)12-16(18)10-14-7-5-9-17(11-14)19-2/h3-9,11H,10,12H2,1-2H3
InChIKeyBNPRXGYYOHYRQU-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.36
Rot. Bonds5

About 1-(3-methoxyphenyl)-3-(2-methylphenyl)propan-2-one

1-(3-methoxyphenyl)-3-(2-methylphenyl)propan-2-one (PubChem CID 61263840) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-(2-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-(2-methylphenyl)propan-2-one
PubChem CID61263840
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name1-(3-methoxyphenyl)-3-(2-methylphenyl)propan-2-one
SMILESCOc1cccc(CC(=O)Cc2ccccc2C)c1
InChIInChI=1S/C17H18O2/c1-13-6-3-4-8-15(13)12-16(18)10-14-7-5-9-17(11-14)19-2/h3-9,11H,10,12H2,1-2H3
InChIKeyBNPRXGYYOHYRQU-UHFFFAOYSA-N
XLogP3.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-one
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1-(3-methoxyphenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
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1-(3,5-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one
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1-(3-methoxyphenyl)-3-pyridin-3-ylpropan-2-one
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1-(5-chloro-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-one
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1-(2,4-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 62196543
5-hydroxy-1-(3-methoxyphenyl)pentan-2-one
CID 106677432
1-(3-methoxyphenyl)hex-4-yn-2-one
CID 62311381
1-(3-methoxyphenyl)heptan-2-one
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N-[(2-hydroxyphenyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 115598846
1-(4-bromothiophen-2-yl)-3-(3-methoxyphenyl)propan-2-one
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CID 105088613

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-(2-methylphenyl)propan-2-one?
The IUPAC name of 1-(3-methoxyphenyl)-3-(2-methylphenyl)propan-2-one (CID 61263840) is 1-(3-methoxyphenyl)-3-(2-methylphenyl)propan-2-one.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-(2-methylphenyl)propan-2-one?
The canonical SMILES for 1-(3-methoxyphenyl)-3-(2-methylphenyl)propan-2-one is COc1cccc(CC(=O)Cc2ccccc2C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-(2-methylphenyl)propan-2-one?
The InChIKey is BNPRXGYYOHYRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-13-6-3-4-8-15(13)12-16(18)10-14-7-5-9-17(11-14)19-2/h3-9,11H,10,12H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-3-(2-methylphenyl)propan-2-one?
1-(3-methoxyphenyl)-3-(2-methylphenyl)propan-2-one has a molecular weight of 254.33 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-(2-methylphenyl)propan-2-one is sourced from PubChem (CID 61263840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).