(8-fluoro-2-methyl-1,2,3,6-tetrahydrochrysen-1-yl)-(4-fluorophenyl)methanone

C26H20F2O — CID 174512004

IUPAC(8-fluoro-2-methyl-1,2,3,6-tetrahydrochrysen-1-yl)-(4-fluorophenyl)methanone
SMILESCC1CC=c2c(ccc3c2=CCc2cc(F)ccc2-3)C1C(=O)c1ccc(F)cc1
InChIInChI=1S/C26H20F2O/c1-15-2-9-23-22-10-5-17-14-19(28)8-11-20(17)21(22)12-13-24(23)25(15)26(29)16-3-6-18(27)7-4-16/h3-4,6-15,25H,2,5H2,1H3
InChIKeyAUOJKFQHNBKVAM-UHFFFAOYSA-N
MW386.44 g/mol
LogP4.76
Rot. Bonds2

About (8-fluoro-2-methyl-1,2,3,6-tetrahydrochrysen-1-yl)-(4-fluorophenyl)methanone

(8-fluoro-2-methyl-1,2,3,6-tetrahydrochrysen-1-yl)-(4-fluorophenyl)methanone (PubChem CID 174512004) has the molecular formula C26H20F2O and a molecular weight of 386.44 g/mol. Its IUPAC name is (8-fluoro-2-methyl-1,2,3,6-tetrahydrochrysen-1-yl)-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name(8-fluoro-2-methyl-1,2,3,6-tetrahydrochrysen-1-yl)-(4-fluorophenyl)methanone
PubChem CID174512004
Molecular FormulaC26H20F2O
Molecular Weight386.44 g/mol
Exact Mass386.15
IUPAC Name(8-fluoro-2-methyl-1,2,3,6-tetrahydrochrysen-1-yl)-(4-fluorophenyl)methanone
SMILESCC1CC=c2c(ccc3c2=CCc2cc(F)ccc2-3)C1C(=O)c1ccc(F)cc1
InChIInChI=1S/C26H20F2O/c1-15-2-9-23-22-10-5-17-14-19(28)8-11-20(17)21(22)12-13-24(23)25(15)26(29)16-3-6-18(27)7-4-16/h3-4,6-15,25H,2,5H2,1H3
InChIKeyAUOJKFQHNBKVAM-UHFFFAOYSA-N
XLogP4.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (8-fluoro-2-methyl-1,2,3,6-tetrahydrochrysen-1-yl)-(4-fluorophenyl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (8-fluoro-2-methyl-1,2,3,6-tetrahydrochrysen-1-yl)-(4-fluorophenyl)methanone?
The IUPAC name of (8-fluoro-2-methyl-1,2,3,6-tetrahydrochrysen-1-yl)-(4-fluorophenyl)methanone (CID 174512004) is (8-fluoro-2-methyl-1,2,3,6-tetrahydrochrysen-1-yl)-(4-fluorophenyl)methanone.
What is the SMILES notation for (8-fluoro-2-methyl-1,2,3,6-tetrahydrochrysen-1-yl)-(4-fluorophenyl)methanone?
The canonical SMILES for (8-fluoro-2-methyl-1,2,3,6-tetrahydrochrysen-1-yl)-(4-fluorophenyl)methanone is CC1CC=c2c(ccc3c2=CCc2cc(F)ccc2-3)C1C(=O)c1ccc(F)cc1.
What is the InChIKey of (8-fluoro-2-methyl-1,2,3,6-tetrahydrochrysen-1-yl)-(4-fluorophenyl)methanone?
The InChIKey is AUOJKFQHNBKVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F2O/c1-15-2-9-23-22-10-5-17-14-19(28)8-11-20(17)21(22)12-13-24(23)25(15)26(29)16-3-6-18(27)7-4-16/h3-4,6-15,25H,2,5H2,1H3.
What are the key properties of (8-fluoro-2-methyl-1,2,3,6-tetrahydrochrysen-1-yl)-(4-fluorophenyl)methanone?
(8-fluoro-2-methyl-1,2,3,6-tetrahydrochrysen-1-yl)-(4-fluorophenyl)methanone has a molecular weight of 386.44 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8-fluoro-2-methyl-1,2,3,6-tetrahydrochrysen-1-yl)-(4-fluorophenyl)methanone is sourced from PubChem (CID 174512004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).