(1-methoxy-2,4-dimethyl-3,5-diphenylcyclopenta-2,4-dien-1-yl)benzene

C26H24O — CID 102256835

IUPAC(1-methoxy-2,4-dimethyl-3,5-diphenylcyclopenta-2,4-dien-1-yl)benzene
SMILESCOC1(c2ccccc2)C(C)=C(c2ccccc2)C(C)=C1c1ccccc1
InChIInChI=1S/C26H24O/c1-19-24(21-13-7-4-8-14-21)20(2)26(27-3,23-17-11-6-12-18-23)25(19)22-15-9-5-10-16-22/h4-18H,1-3H3
InChIKeyIGHOUHKJJGYQLR-UHFFFAOYSA-N
MW352.48 g/mol
LogP6.49
Rot. Bonds4

About (1-methoxy-2,4-dimethyl-3,5-diphenylcyclopenta-2,4-dien-1-yl)benzene

(1-methoxy-2,4-dimethyl-3,5-diphenylcyclopenta-2,4-dien-1-yl)benzene (PubChem CID 102256835) has the molecular formula C26H24O and a molecular weight of 352.48 g/mol. Its IUPAC name is (1-methoxy-2,4-dimethyl-3,5-diphenylcyclopenta-2,4-dien-1-yl)benzene.

Molecular Properties

Compound Name(1-methoxy-2,4-dimethyl-3,5-diphenylcyclopenta-2,4-dien-1-yl)benzene
PubChem CID102256835
Molecular FormulaC26H24O
Molecular Weight352.48 g/mol
Exact Mass352.18
IUPAC Name(1-methoxy-2,4-dimethyl-3,5-diphenylcyclopenta-2,4-dien-1-yl)benzene
SMILESCOC1(c2ccccc2)C(C)=C(c2ccccc2)C(C)=C1c1ccccc1
InChIInChI=1S/C26H24O/c1-19-24(21-13-7-4-8-14-21)20(2)26(27-3,23-17-11-6-12-18-23)25(19)22-15-9-5-10-16-22/h4-18H,1-3H3
InChIKeyIGHOUHKJJGYQLR-UHFFFAOYSA-N
XLogP6.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(1S)-4-benzhydrylidene-1-ethoxy-2,3-diphenylcyclobut-2-en-1-yl]benzene
CID 95242484
(1S)-2-methyl-1,3-diphenylcycloprop-2-ene-1-carboxylic acid
CID 71418523
2,2-dimethoxy-4,5-diphenylcyclopent-4-ene-1,3-dione
CID 135004291
1-methyl-2-[[(1R)-2-methyl-1,3-diphenylcycloprop-2-en-1-yl]methyl]benzene
CID 9498806
[1,2-bis(methoxymethyl)-3,4,5-triphenylcyclopenta-2,4-dien-1-yl]benzene
CID 67415465
4-hydroxy-2-methyl-3,4-diphenylcyclobut-2-en-1-one
CID 10444794
1-(1-bromo-2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-yl)-4-methylbenzene
CID 3366800
4-methoxy-4-phenyl-3,5-bis(trifluoromethyl)pyrazole
CID 15075856
tetramethyl 2,5-dimethyl-3,6-diphenylcyclohexa-2,5-diene-1,1,4,4-tetracarboxylate
CID 101226398
lithium (1,2,3,4-tetraphenylcyclopenta-2,4-dien-1-yl)benzene
CID 175065645
N,N-dimethyl-1,2,3-triphenylcycloprop-2-en-1-amine
CID 616519
(4R,5S)-4-hydroxy-5-methyl-2,3,4-triphenylcyclopent-2-en-1-one
CID 70037236

Frequently Asked Questions

What is the IUPAC name of (1-methoxy-2,4-dimethyl-3,5-diphenylcyclopenta-2,4-dien-1-yl)benzene?
The IUPAC name of (1-methoxy-2,4-dimethyl-3,5-diphenylcyclopenta-2,4-dien-1-yl)benzene (CID 102256835) is (1-methoxy-2,4-dimethyl-3,5-diphenylcyclopenta-2,4-dien-1-yl)benzene.
What is the SMILES notation for (1-methoxy-2,4-dimethyl-3,5-diphenylcyclopenta-2,4-dien-1-yl)benzene?
The canonical SMILES for (1-methoxy-2,4-dimethyl-3,5-diphenylcyclopenta-2,4-dien-1-yl)benzene is COC1(c2ccccc2)C(C)=C(c2ccccc2)C(C)=C1c1ccccc1.
What is the InChIKey of (1-methoxy-2,4-dimethyl-3,5-diphenylcyclopenta-2,4-dien-1-yl)benzene?
The InChIKey is IGHOUHKJJGYQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O/c1-19-24(21-13-7-4-8-14-21)20(2)26(27-3,23-17-11-6-12-18-23)25(19)22-15-9-5-10-16-22/h4-18H,1-3H3.
What are the key properties of (1-methoxy-2,4-dimethyl-3,5-diphenylcyclopenta-2,4-dien-1-yl)benzene?
(1-methoxy-2,4-dimethyl-3,5-diphenylcyclopenta-2,4-dien-1-yl)benzene has a molecular weight of 352.48 g/mol, XLogP of 6.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-2,4-dimethyl-3,5-diphenylcyclopenta-2,4-dien-1-yl)benzene is sourced from PubChem (CID 102256835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).