9-[3-[2-(2,5-dimethylphenoxy)ethoxy]-4-methylphenyl]-3-methyl-6-methylidenexanthene

C32H30O3 — CID 59630545

IUPAC9-[3-[2-(2,5-dimethylphenoxy)ethoxy]-4-methylphenyl]-3-methyl-6-methylidenexanthene
SMILESC=c1ccc2c(c1)Oc1cc(C)ccc1C=2c1ccc(C)c(OCCOc2cc(C)ccc2C)c1
InChIInChI=1S/C32H30O3/c1-20-6-9-23(4)28(16-20)33-14-15-34-29-19-25(11-10-24(29)5)32-26-12-7-21(2)17-30(26)35-31-18-22(3)8-13-27(31)32/h6-13,16-19H,2,14-15H2,1,3-5H3
InChIKeyKTPGGYUONGRXRG-UHFFFAOYSA-N
MW462.59 g/mol
LogP6.14
Rot. Bonds6

About 9-[3-[2-(2,5-dimethylphenoxy)ethoxy]-4-methylphenyl]-3-methyl-6-methylidenexanthene

9-[3-[2-(2,5-dimethylphenoxy)ethoxy]-4-methylphenyl]-3-methyl-6-methylidenexanthene (PubChem CID 59630545) has the molecular formula C32H30O3 and a molecular weight of 462.59 g/mol. Its IUPAC name is 9-[3-[2-(2,5-dimethylphenoxy)ethoxy]-4-methylphenyl]-3-methyl-6-methylidenexanthene.

Molecular Properties

Compound Name9-[3-[2-(2,5-dimethylphenoxy)ethoxy]-4-methylphenyl]-3-methyl-6-methylidenexanthene
PubChem CID59630545
Molecular FormulaC32H30O3
Molecular Weight462.59 g/mol
Exact Mass462.22
IUPAC Name9-[3-[2-(2,5-dimethylphenoxy)ethoxy]-4-methylphenyl]-3-methyl-6-methylidenexanthene
SMILESC=c1ccc2c(c1)Oc1cc(C)ccc1C=2c1ccc(C)c(OCCOc2cc(C)ccc2C)c1
InChIInChI=1S/C32H30O3/c1-20-6-9-23(4)28(16-20)33-14-15-34-29-19-25(11-10-24(29)5)32-26-12-7-21(2)17-30(26)35-31-18-22(3)8-13-27(31)32/h6-13,16-19H,2,14-15H2,1,3-5H3
InChIKeyKTPGGYUONGRXRG-UHFFFAOYSA-N
XLogP6.14
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.59
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-[3-[2-(2,5-dimethylphenoxy)ethoxy]-4-methylphenyl]-3-methyl-6-methylidenexanthene?
The IUPAC name of 9-[3-[2-(2,5-dimethylphenoxy)ethoxy]-4-methylphenyl]-3-methyl-6-methylidenexanthene (CID 59630545) is 9-[3-[2-(2,5-dimethylphenoxy)ethoxy]-4-methylphenyl]-3-methyl-6-methylidenexanthene.
What is the SMILES notation for 9-[3-[2-(2,5-dimethylphenoxy)ethoxy]-4-methylphenyl]-3-methyl-6-methylidenexanthene?
The canonical SMILES for 9-[3-[2-(2,5-dimethylphenoxy)ethoxy]-4-methylphenyl]-3-methyl-6-methylidenexanthene is C=c1ccc2c(c1)Oc1cc(C)ccc1C=2c1ccc(C)c(OCCOc2cc(C)ccc2C)c1.
What is the InChIKey of 9-[3-[2-(2,5-dimethylphenoxy)ethoxy]-4-methylphenyl]-3-methyl-6-methylidenexanthene?
The InChIKey is KTPGGYUONGRXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30O3/c1-20-6-9-23(4)28(16-20)33-14-15-34-29-19-25(11-10-24(29)5)32-26-12-7-21(2)17-30(26)35-31-18-22(3)8-13-27(31)32/h6-13,16-19H,2,14-15H2,1,3-5H3.
What are the key properties of 9-[3-[2-(2,5-dimethylphenoxy)ethoxy]-4-methylphenyl]-3-methyl-6-methylidenexanthene?
9-[3-[2-(2,5-dimethylphenoxy)ethoxy]-4-methylphenyl]-3-methyl-6-methylidenexanthene has a molecular weight of 462.59 g/mol, XLogP of 6.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[2-(2,5-dimethylphenoxy)ethoxy]-4-methylphenyl]-3-methyl-6-methylidenexanthene is sourced from PubChem (CID 59630545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).