1-benzyl-4,5-dihydro-3H-chrysen-2-one

C25H20O — CID 174750449

IUPAC1-benzyl-4,5-dihydro-3H-chrysen-2-one
SMILESO=C1CCc2c3c(ccc2=C1Cc1ccccc1)=c1ccccc1=CC3
InChIInChI=1S/C25H20O/c26-25-15-14-22-21-11-10-18-8-4-5-9-19(18)20(21)12-13-23(22)24(25)16-17-6-2-1-3-7-17/h1-10,12-13H,11,14-16H2
InChIKeyWCBSIFWWGRRSIT-UHFFFAOYSA-N
MW336.43 g/mol
LogP3.22
Rot. Bonds2

About 1-benzyl-4,5-dihydro-3H-chrysen-2-one

1-benzyl-4,5-dihydro-3H-chrysen-2-one (PubChem CID 174750449) has the molecular formula C25H20O and a molecular weight of 336.43 g/mol. Its IUPAC name is 1-benzyl-4,5-dihydro-3H-chrysen-2-one.

Molecular Properties

Compound Name1-benzyl-4,5-dihydro-3H-chrysen-2-one
PubChem CID174750449
Molecular FormulaC25H20O
Molecular Weight336.43 g/mol
Exact Mass336.15
IUPAC Name1-benzyl-4,5-dihydro-3H-chrysen-2-one
SMILESO=C1CCc2c3c(ccc2=C1Cc1ccccc1)=c1ccccc1=CC3
InChIInChI=1S/C25H20O/c26-25-15-14-22-21-11-10-18-8-4-5-9-19(18)20(21)12-13-23(22)24(25)16-17-6-2-1-3-7-17/h1-10,12-13H,11,14-16H2
InChIKeyWCBSIFWWGRRSIT-UHFFFAOYSA-N
XLogP3.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-hydroxy-4,5-dihydro-3H-chrysen-2-one
CID 174891362
4,5-dihydro-3H-chrysen-2-one
CID 174363316
2-(2,3,4,5-tetrahydrochrysen-2-ylmethyl)benzene-1,3-dicarboxylic acid
CID 174814526
4-(2,3,4,5-tetrahydrochrysen-1-yl)benzaldehyde
CID 175242525
3-amino-2-benzylcyclohex-2-en-1-one
CID 11206449
2-(2-chloroanilino)-N-[4-(2,3,4,5-tetrahydrochrysene-1-carbonyl)phenyl]acetamide
CID 174283271
2-benzyl-3-oxocyclohexa-1,5-diene-1-carboxylic acid
CID 67637893
3-benzyl-4-(bromomethyl)furan-2,5-dione
CID 11254515
phenyl(113C)methylbenzene
CID 11194569
1,2-bis(4-benzylphenyl)ethane-1,2-dione
CID 141311981
1-methyl-2H-indene
CID 59944755
2,3,4,5-tetrahydrochrysene;2,2,6-trimethyl-1H-pyridine
CID 174452743

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4,5-dihydro-3H-chrysen-2-one?
The IUPAC name of 1-benzyl-4,5-dihydro-3H-chrysen-2-one (CID 174750449) is 1-benzyl-4,5-dihydro-3H-chrysen-2-one.
What is the SMILES notation for 1-benzyl-4,5-dihydro-3H-chrysen-2-one?
The canonical SMILES for 1-benzyl-4,5-dihydro-3H-chrysen-2-one is O=C1CCc2c3c(ccc2=C1Cc1ccccc1)=c1ccccc1=CC3.
What is the InChIKey of 1-benzyl-4,5-dihydro-3H-chrysen-2-one?
The InChIKey is WCBSIFWWGRRSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20O/c26-25-15-14-22-21-11-10-18-8-4-5-9-19(18)20(21)12-13-23(22)24(25)16-17-6-2-1-3-7-17/h1-10,12-13H,11,14-16H2.
What are the key properties of 1-benzyl-4,5-dihydro-3H-chrysen-2-one?
1-benzyl-4,5-dihydro-3H-chrysen-2-one has a molecular weight of 336.43 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4,5-dihydro-3H-chrysen-2-one is sourced from PubChem (CID 174750449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).