phenyl(1,2,3,6-tetrahydrochrysen-3-yl)methanone

C25H20O — CID 174511724

IUPACphenyl(1,2,3,6-tetrahydrochrysen-3-yl)methanone
SMILESO=C(c1ccccc1)C1C=c2c(ccc3c2=CCc2ccccc2-3)CC1
InChIInChI=1S/C25H20O/c26-25(19-7-2-1-3-8-19)20-11-10-18-13-14-22-21-9-5-4-6-17(21)12-15-23(22)24(18)16-20/h1-9,13-16,20H,10-12H2
InChIKeyFAAGRXUYYNMLAC-UHFFFAOYSA-N
MW336.43 g/mol
LogP3.92
Rot. Bonds2

About phenyl(1,2,3,6-tetrahydrochrysen-3-yl)methanone

phenyl(1,2,3,6-tetrahydrochrysen-3-yl)methanone (PubChem CID 174511724) has the molecular formula C25H20O and a molecular weight of 336.43 g/mol. Its IUPAC name is phenyl(1,2,3,6-tetrahydrochrysen-3-yl)methanone.

Molecular Properties

Compound Namephenyl(1,2,3,6-tetrahydrochrysen-3-yl)methanone
PubChem CID174511724
Molecular FormulaC25H20O
Molecular Weight336.43 g/mol
Exact Mass336.15
IUPAC Namephenyl(1,2,3,6-tetrahydrochrysen-3-yl)methanone
SMILESO=C(c1ccccc1)C1C=c2c(ccc3c2=CCc2ccccc2-3)CC1
InChIInChI=1S/C25H20O/c26-25(19-7-2-1-3-8-19)20-11-10-18-13-14-22-21-9-5-4-6-17(21)12-15-23(22)24(18)16-20/h1-9,13-16,20H,10-12H2
InChIKeyFAAGRXUYYNMLAC-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of phenyl(1,2,3,6-tetrahydrochrysen-3-yl)methanone?
The IUPAC name of phenyl(1,2,3,6-tetrahydrochrysen-3-yl)methanone (CID 174511724) is phenyl(1,2,3,6-tetrahydrochrysen-3-yl)methanone.
What is the SMILES notation for phenyl(1,2,3,6-tetrahydrochrysen-3-yl)methanone?
The canonical SMILES for phenyl(1,2,3,6-tetrahydrochrysen-3-yl)methanone is O=C(c1ccccc1)C1C=c2c(ccc3c2=CCc2ccccc2-3)CC1.
What is the InChIKey of phenyl(1,2,3,6-tetrahydrochrysen-3-yl)methanone?
The InChIKey is FAAGRXUYYNMLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20O/c26-25(19-7-2-1-3-8-19)20-11-10-18-13-14-22-21-9-5-4-6-17(21)12-15-23(22)24(18)16-20/h1-9,13-16,20H,10-12H2.
What are the key properties of phenyl(1,2,3,6-tetrahydrochrysen-3-yl)methanone?
phenyl(1,2,3,6-tetrahydrochrysen-3-yl)methanone has a molecular weight of 336.43 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(1,2,3,6-tetrahydrochrysen-3-yl)methanone is sourced from PubChem (CID 174511724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).