2-methoxy-5-(2-methylphenyl)cyclohepta-2,4,6-trien-1-one

C15H14O2 — CID 11715569

IUPAC2-methoxy-5-(2-methylphenyl)cyclohepta-2,4,6-trien-1-one
SMILESCOc1ccc(-c2ccccc2C)ccc1=O
InChIInChI=1S/C15H14O2/c1-11-5-3-4-6-13(11)12-7-9-14(16)15(17-2)10-8-12/h3-10H,1-2H3
InChIKeyOWBZTWBYTQVKHP-UHFFFAOYSA-N
MW226.27 g/mol
LogP3.03
Rot. Bonds2

About 2-methoxy-5-(2-methylphenyl)cyclohepta-2,4,6-trien-1-one

2-methoxy-5-(2-methylphenyl)cyclohepta-2,4,6-trien-1-one (PubChem CID 11715569) has the molecular formula C15H14O2 and a molecular weight of 226.27 g/mol. Its IUPAC name is 2-methoxy-5-(2-methylphenyl)cyclohepta-2,4,6-trien-1-one.

Molecular Properties

Compound Name2-methoxy-5-(2-methylphenyl)cyclohepta-2,4,6-trien-1-one
PubChem CID11715569
Molecular FormulaC15H14O2
Molecular Weight226.27 g/mol
Exact Mass226.10
IUPAC Name2-methoxy-5-(2-methylphenyl)cyclohepta-2,4,6-trien-1-one
SMILESCOc1ccc(-c2ccccc2C)ccc1=O
InChIInChI=1S/C15H14O2/c1-11-5-3-4-6-13(11)12-7-9-14(16)15(17-2)10-8-12/h3-10H,1-2H3
InChIKeyOWBZTWBYTQVKHP-UHFFFAOYSA-N
XLogP3.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-2-[2-[4-(2-methylphenyl)phenyl]phenyl]benzene
CID 58892394
1-methyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 58389745
1-methyl-2-(4-phenylphenyl)benzene
CID 144588078
1-methyl-2-[4-(2-phenylphenyl)phenyl]benzene
CID 58390061
1-methoxy-2-[4-[4-(2-methoxyphenyl)phenyl]phenyl]benzene
CID 86116478
N-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]ethanamine
CID 54912220
1,3-dimethoxy-5-(2-methylphenyl)benzene
CID 86038743
2-(2-methoxy-6-methylphenyl)isoindole-1,3-dione
CID 622512
2-(4-methoxy-3-methylphenyl)phenol
CID 53218559
5-[4-(2-methylphenyl)phenyl]pyrimidine
CID 146397515
3-methoxy-1-[[4-(2-methylphenyl)phenyl]methyl]pyridine-2-thione
CID 71654678
2-(4-methoxy-3-methylphenyl)benzaldehyde
CID 54910312

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(2-methylphenyl)cyclohepta-2,4,6-trien-1-one?
The IUPAC name of 2-methoxy-5-(2-methylphenyl)cyclohepta-2,4,6-trien-1-one (CID 11715569) is 2-methoxy-5-(2-methylphenyl)cyclohepta-2,4,6-trien-1-one.
What is the SMILES notation for 2-methoxy-5-(2-methylphenyl)cyclohepta-2,4,6-trien-1-one?
The canonical SMILES for 2-methoxy-5-(2-methylphenyl)cyclohepta-2,4,6-trien-1-one is COc1ccc(-c2ccccc2C)ccc1=O.
What is the InChIKey of 2-methoxy-5-(2-methylphenyl)cyclohepta-2,4,6-trien-1-one?
The InChIKey is OWBZTWBYTQVKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c1-11-5-3-4-6-13(11)12-7-9-14(16)15(17-2)10-8-12/h3-10H,1-2H3.
What are the key properties of 2-methoxy-5-(2-methylphenyl)cyclohepta-2,4,6-trien-1-one?
2-methoxy-5-(2-methylphenyl)cyclohepta-2,4,6-trien-1-one has a molecular weight of 226.27 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(2-methylphenyl)cyclohepta-2,4,6-trien-1-one is sourced from PubChem (CID 11715569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).