1-[(3,5-dimethylphenyl)-(2-methylcyclopenta-1,3-dien-1-yl)methyl]-3,5-dimethylbenzene

C23H26 — CID 123910588

IUPAC1-[(3,5-dimethylphenyl)-(2-methylcyclopenta-1,3-dien-1-yl)methyl]-3,5-dimethylbenzene
SMILESCC1=C(C(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)CC=C1
InChIInChI=1S/C23H26/c1-15-9-16(2)12-20(11-15)23(22-8-6-7-19(22)5)21-13-17(3)10-18(4)14-21/h6-7,9-14,23H,8H2,1-5H3
InChIKeyHNEMABMRUXKKTC-UHFFFAOYSA-N
MW302.46 g/mol
LogP6.33
Rot. Bonds3

About 1-[(3,5-dimethylphenyl)-(2-methylcyclopenta-1,3-dien-1-yl)methyl]-3,5-dimethylbenzene

1-[(3,5-dimethylphenyl)-(2-methylcyclopenta-1,3-dien-1-yl)methyl]-3,5-dimethylbenzene (PubChem CID 123910588) has the molecular formula C23H26 and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-[(3,5-dimethylphenyl)-(2-methylcyclopenta-1,3-dien-1-yl)methyl]-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-[(3,5-dimethylphenyl)-(2-methylcyclopenta-1,3-dien-1-yl)methyl]-3,5-dimethylbenzene
PubChem CID123910588
Molecular FormulaC23H26
Molecular Weight302.46 g/mol
Exact Mass302.20
IUPAC Name1-[(3,5-dimethylphenyl)-(2-methylcyclopenta-1,3-dien-1-yl)methyl]-3,5-dimethylbenzene
SMILESCC1=C(C(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)CC=C1
InChIInChI=1S/C23H26/c1-15-9-16(2)12-20(11-15)23(22-8-6-7-19(22)5)21-13-17(3)10-18(4)14-21/h6-7,9-14,23H,8H2,1-5H3
InChIKeyHNEMABMRUXKKTC-UHFFFAOYSA-N
XLogP6.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-methyl-1-propan-2-ylcyclopenta-1,3-diene
CID 18914846
1-[(3,5-dimethylphenyl)-phenylmethyl]-3,5-dimethylbenzene;ethane
CID 145412167
1-(1,3-dichloropropan-2-yl)-3,5-dimethylbenzene
CID 25021518
1-chloro-2-methylcyclopenta-1,3-diene;hydride;titanium(4+)
CID 174756791
bis(3,5-dimethylphenyl)methylphosphane
CID 23104852
bis(3,5-dimethylphenyl)methanamine
CID 115796405
(1R,2S)-1,2-bis(3,5-dimethylphenyl)ethane-1,2-diol
CID 102316400
[2-[(1R)-1-bis(3,5-dimethylphenyl)phosphanylethyl]cyclopenta-1,4-dien-1-yl]-ditert-butylphosphane
CID 70795737
tris(3,5-dimethylphenyl)-(2-propylcyclopenta-1,3-dien-1-yl)silane
CID 123161934
CID 171375446
CID 171375446
titanium;bis(1,3,5-trimethylbenzene)
CID 12633333
ethane;1,3,5-trimethylbenzene
CID 91530079

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylphenyl)-(2-methylcyclopenta-1,3-dien-1-yl)methyl]-3,5-dimethylbenzene?
The IUPAC name of 1-[(3,5-dimethylphenyl)-(2-methylcyclopenta-1,3-dien-1-yl)methyl]-3,5-dimethylbenzene (CID 123910588) is 1-[(3,5-dimethylphenyl)-(2-methylcyclopenta-1,3-dien-1-yl)methyl]-3,5-dimethylbenzene.
What is the SMILES notation for 1-[(3,5-dimethylphenyl)-(2-methylcyclopenta-1,3-dien-1-yl)methyl]-3,5-dimethylbenzene?
The canonical SMILES for 1-[(3,5-dimethylphenyl)-(2-methylcyclopenta-1,3-dien-1-yl)methyl]-3,5-dimethylbenzene is CC1=C(C(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)CC=C1.
What is the InChIKey of 1-[(3,5-dimethylphenyl)-(2-methylcyclopenta-1,3-dien-1-yl)methyl]-3,5-dimethylbenzene?
The InChIKey is HNEMABMRUXKKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26/c1-15-9-16(2)12-20(11-15)23(22-8-6-7-19(22)5)21-13-17(3)10-18(4)14-21/h6-7,9-14,23H,8H2,1-5H3.
What are the key properties of 1-[(3,5-dimethylphenyl)-(2-methylcyclopenta-1,3-dien-1-yl)methyl]-3,5-dimethylbenzene?
1-[(3,5-dimethylphenyl)-(2-methylcyclopenta-1,3-dien-1-yl)methyl]-3,5-dimethylbenzene has a molecular weight of 302.46 g/mol, XLogP of 6.33, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylphenyl)-(2-methylcyclopenta-1,3-dien-1-yl)methyl]-3,5-dimethylbenzene is sourced from PubChem (CID 123910588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).