2-methyl-1-(3-methylphenyl)-4,5-dihydro-2H-chrysen-3-one

C26H22O — CID 174688942

IUPAC2-methyl-1-(3-methylphenyl)-4,5-dihydro-2H-chrysen-3-one
SMILESCc1cccc(C2=c3ccc4c(c3CC(=O)C2C)CC=c2ccccc2=4)c1
InChIInChI=1S/C26H22O/c1-16-6-5-8-19(14-16)26-17(2)25(27)15-24-22-11-10-18-7-3-4-9-20(18)21(22)12-13-23(24)26/h3-10,12-14,17H,11,15H2,1-2H3
InChIKeyKMHHJHGBZNSQGZ-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.58
Rot. Bonds1

About 2-methyl-1-(3-methylphenyl)-4,5-dihydro-2H-chrysen-3-one

2-methyl-1-(3-methylphenyl)-4,5-dihydro-2H-chrysen-3-one (PubChem CID 174688942) has the molecular formula C26H22O and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-methyl-1-(3-methylphenyl)-4,5-dihydro-2H-chrysen-3-one.

Molecular Properties

Compound Name2-methyl-1-(3-methylphenyl)-4,5-dihydro-2H-chrysen-3-one
PubChem CID174688942
Molecular FormulaC26H22O
Molecular Weight350.46 g/mol
Exact Mass350.17
IUPAC Name2-methyl-1-(3-methylphenyl)-4,5-dihydro-2H-chrysen-3-one
SMILESCc1cccc(C2=c3ccc4c(c3CC(=O)C2C)CC=c2ccccc2=4)c1
InChIInChI=1S/C26H22O/c1-16-6-5-8-19(14-16)26-17(2)25(27)15-24-22-11-10-18-7-3-4-9-20(18)21(22)12-13-23(24)26/h3-10,12-14,17H,11,15H2,1-2H3
InChIKeyKMHHJHGBZNSQGZ-UHFFFAOYSA-N
XLogP3.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-1-fluoro-3-methyl-2,3,4,5-tetrahydrochrysene
CID 174851530
ethene;1-methyl-3-phenylbenzene
CID 142622149
1,4,5,8-tetrakis(3-methylphenyl)anthracene-9,10-dione
CID 25054148
1-(difluoromethyl)-2-(3-methylphenyl)benzene
CID 123429256
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
ethane;1-methyl-3-phenylbenzene
CID 142040878
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848
1-(3-methylphenyl)-3-phenyl-5-(3-phenylphenyl)benzene
CID 123280286
ethane;1-methyl-3-(3-phenylphenyl)benzene
CID 163289488
ethane;1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 142439051
1-(3,5-diphenylphenyl)-3-(3-methylphenyl)-5-phenylbenzene
CID 123283333
ethane;methane;1-methyl-3-phenylbenzene
CID 144644852

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methylphenyl)-4,5-dihydro-2H-chrysen-3-one?
The IUPAC name of 2-methyl-1-(3-methylphenyl)-4,5-dihydro-2H-chrysen-3-one (CID 174688942) is 2-methyl-1-(3-methylphenyl)-4,5-dihydro-2H-chrysen-3-one.
What is the SMILES notation for 2-methyl-1-(3-methylphenyl)-4,5-dihydro-2H-chrysen-3-one?
The canonical SMILES for 2-methyl-1-(3-methylphenyl)-4,5-dihydro-2H-chrysen-3-one is Cc1cccc(C2=c3ccc4c(c3CC(=O)C2C)CC=c2ccccc2=4)c1.
What is the InChIKey of 2-methyl-1-(3-methylphenyl)-4,5-dihydro-2H-chrysen-3-one?
The InChIKey is KMHHJHGBZNSQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O/c1-16-6-5-8-19(14-16)26-17(2)25(27)15-24-22-11-10-18-7-3-4-9-20(18)21(22)12-13-23(24)26/h3-10,12-14,17H,11,15H2,1-2H3.
What are the key properties of 2-methyl-1-(3-methylphenyl)-4,5-dihydro-2H-chrysen-3-one?
2-methyl-1-(3-methylphenyl)-4,5-dihydro-2H-chrysen-3-one has a molecular weight of 350.46 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methylphenyl)-4,5-dihydro-2H-chrysen-3-one is sourced from PubChem (CID 174688942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).