2,3,7-trimethyl-6-methylidene-9-(2-methylphenyl)xanthene

C24H22O — CID 59101854

IUPAC2,3,7-trimethyl-6-methylidene-9-(2-methylphenyl)xanthene
SMILESC=c1cc2c(cc1C)=C(c1ccccc1C)c1cc(C)c(C)cc1O2
InChIInChI=1S/C24H22O/c1-14-8-6-7-9-19(14)24-20-10-15(2)17(4)12-22(20)25-23-13-18(5)16(3)11-21(23)24/h6-13H,4H2,1-3,5H3
InChIKeyQRVPUPNSTYOEGX-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.68
Rot. Bonds1

About 2,3,7-trimethyl-6-methylidene-9-(2-methylphenyl)xanthene

2,3,7-trimethyl-6-methylidene-9-(2-methylphenyl)xanthene (PubChem CID 59101854) has the molecular formula C24H22O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2,3,7-trimethyl-6-methylidene-9-(2-methylphenyl)xanthene.

Molecular Properties

Compound Name2,3,7-trimethyl-6-methylidene-9-(2-methylphenyl)xanthene
PubChem CID59101854
Molecular FormulaC24H22O
Molecular Weight326.44 g/mol
Exact Mass326.17
IUPAC Name2,3,7-trimethyl-6-methylidene-9-(2-methylphenyl)xanthene
SMILESC=c1cc2c(cc1C)=C(c1ccccc1C)c1cc(C)c(C)cc1O2
InChIInChI=1S/C24H22O/c1-14-8-6-7-9-19(14)24-20-10-15(2)17(4)12-22(20)25-23-13-18(5)16(3)11-21(23)24/h6-13H,4H2,1-3,5H3
InChIKeyQRVPUPNSTYOEGX-UHFFFAOYSA-N
XLogP4.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,7-trimethyl-6-methylidene-9-(2-methylphenyl)xanthene?
The IUPAC name of 2,3,7-trimethyl-6-methylidene-9-(2-methylphenyl)xanthene (CID 59101854) is 2,3,7-trimethyl-6-methylidene-9-(2-methylphenyl)xanthene.
What is the SMILES notation for 2,3,7-trimethyl-6-methylidene-9-(2-methylphenyl)xanthene?
The canonical SMILES for 2,3,7-trimethyl-6-methylidene-9-(2-methylphenyl)xanthene is C=c1cc2c(cc1C)=C(c1ccccc1C)c1cc(C)c(C)cc1O2.
What is the InChIKey of 2,3,7-trimethyl-6-methylidene-9-(2-methylphenyl)xanthene?
The InChIKey is QRVPUPNSTYOEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O/c1-14-8-6-7-9-19(14)24-20-10-15(2)17(4)12-22(20)25-23-13-18(5)16(3)11-21(23)24/h6-13H,4H2,1-3,5H3.
What are the key properties of 2,3,7-trimethyl-6-methylidene-9-(2-methylphenyl)xanthene?
2,3,7-trimethyl-6-methylidene-9-(2-methylphenyl)xanthene has a molecular weight of 326.44 g/mol, XLogP of 4.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7-trimethyl-6-methylidene-9-(2-methylphenyl)xanthene is sourced from PubChem (CID 59101854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).