4-[3-(2-methoxy-5-methylphenyl)phenyl]butan-2-one

C18H20O2 — CID 82541048

IUPAC4-[3-(2-methoxy-5-methylphenyl)phenyl]butan-2-one
SMILESCOc1ccc(C)cc1-c1cccc(CCC(C)=O)c1
InChIInChI=1S/C18H20O2/c1-13-7-10-18(20-3)17(11-13)16-6-4-5-15(12-16)9-8-14(2)19/h4-7,10-12H,8-9H2,1-3H3
InChIKeyKRVRVFAHHYDCEB-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.19
Rot. Bonds5

About 4-[3-(2-methoxy-5-methylphenyl)phenyl]butan-2-one

4-[3-(2-methoxy-5-methylphenyl)phenyl]butan-2-one (PubChem CID 82541048) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[3-(2-methoxy-5-methylphenyl)phenyl]butan-2-one.

Molecular Properties

Compound Name4-[3-(2-methoxy-5-methylphenyl)phenyl]butan-2-one
PubChem CID82541048
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name4-[3-(2-methoxy-5-methylphenyl)phenyl]butan-2-one
SMILESCOc1ccc(C)cc1-c1cccc(CCC(C)=O)c1
InChIInChI=1S/C18H20O2/c1-13-7-10-18(20-3)17(11-13)16-6-4-5-15(12-16)9-8-14(2)19/h4-7,10-12H,8-9H2,1-3H3
InChIKeyKRVRVFAHHYDCEB-UHFFFAOYSA-N
XLogP4.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[3-(2-methoxy-5-methylphenyl)phenyl]butan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methoxy-5-methylphenyl)phenol
CID 39243395
3-[3-(2,5-dimethylphenyl)phenyl]propanoic acid
CID 82120152
3-[3-(2-hydroxy-5-methylphenyl)phenyl]propanoic acid
CID 68870156
4-[3-(2,3-dichlorophenyl)phenyl]butan-2-one
CID 82540744
4-[3-[2-(trifluoromethyl)phenyl]phenyl]butan-2-one
CID 82540770
3-[4-methoxy-3-(2-methoxy-4-methylphenyl)phenyl]propanoic acid
CID 167844333
4-[3-(3,5-difluorophenyl)phenyl]butan-2-one
CID 82541152
3-(2-methoxy-5-methylphenyl)benzonitrile
CID 39245698
1-(2-methoxy-5-methylphenyl)pentane-1,4-dione
CID 94682943
(E)-3-methyl-5-[3-(4-methylphenyl)phenyl]pent-2-enoic acid
CID 82544146
methyl 3-[3-(2-fluoro-6-methoxyphenyl)phenyl]propanoate
CID 146186663
3-(4-methoxy-3-naphthalen-2-ylphenyl)propanoic acid
CID 22559255

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methoxy-5-methylphenyl)phenyl]butan-2-one?
The IUPAC name of 4-[3-(2-methoxy-5-methylphenyl)phenyl]butan-2-one (CID 82541048) is 4-[3-(2-methoxy-5-methylphenyl)phenyl]butan-2-one.
What is the SMILES notation for 4-[3-(2-methoxy-5-methylphenyl)phenyl]butan-2-one?
The canonical SMILES for 4-[3-(2-methoxy-5-methylphenyl)phenyl]butan-2-one is COc1ccc(C)cc1-c1cccc(CCC(C)=O)c1.
What is the InChIKey of 4-[3-(2-methoxy-5-methylphenyl)phenyl]butan-2-one?
The InChIKey is KRVRVFAHHYDCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-13-7-10-18(20-3)17(11-13)16-6-4-5-15(12-16)9-8-14(2)19/h4-7,10-12H,8-9H2,1-3H3.
What are the key properties of 4-[3-(2-methoxy-5-methylphenyl)phenyl]butan-2-one?
4-[3-(2-methoxy-5-methylphenyl)phenyl]butan-2-one has a molecular weight of 268.36 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methoxy-5-methylphenyl)phenyl]butan-2-one is sourced from PubChem (CID 82541048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).