1-methyl-2-[[(1R)-2-methyl-1,3-diphenylcycloprop-2-en-1-yl]methyl]benzene

C24H22 — CID 9498806

IUPAC1-methyl-2-[[(1R)-2-methyl-1,3-diphenylcycloprop-2-en-1-yl]methyl]benzene
SMILESCC1=C(c2ccccc2)[C@]1(Cc1ccccc1C)c1ccccc1
InChIInChI=1S/C24H22/c1-18-11-9-10-14-21(18)17-24(22-15-7-4-8-16-22)19(2)23(24)20-12-5-3-6-13-20/h3-16H,17H2,1-2H3/t24-/m0/s1
InChIKeyHZDDXMSZYMQOIZ-DEOSSOPVSA-N
MW310.44 g/mol
LogP5.96
Rot. Bonds4

About 1-methyl-2-[[(1R)-2-methyl-1,3-diphenylcycloprop-2-en-1-yl]methyl]benzene

1-methyl-2-[[(1R)-2-methyl-1,3-diphenylcycloprop-2-en-1-yl]methyl]benzene (PubChem CID 9498806) has the molecular formula C24H22 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-methyl-2-[[(1R)-2-methyl-1,3-diphenylcycloprop-2-en-1-yl]methyl]benzene.

Molecular Properties

Compound Name1-methyl-2-[[(1R)-2-methyl-1,3-diphenylcycloprop-2-en-1-yl]methyl]benzene
PubChem CID9498806
Molecular FormulaC24H22
Molecular Weight310.44 g/mol
Exact Mass310.17
IUPAC Name1-methyl-2-[[(1R)-2-methyl-1,3-diphenylcycloprop-2-en-1-yl]methyl]benzene
SMILESCC1=C(c2ccccc2)[C@]1(Cc1ccccc1C)c1ccccc1
InChIInChI=1S/C24H22/c1-18-11-9-10-14-21(18)17-24(22-15-7-4-8-16-22)19(2)23(24)20-12-5-3-6-13-20/h3-16H,17H2,1-2H3/t24-/m0/s1
InChIKeyHZDDXMSZYMQOIZ-DEOSSOPVSA-N
XLogP5.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(2-methyl-1,3-diphenylcycloprop-2-en-1-yl)methyl]-2-propan-2-ylbenzene
CID 134888866
(3S)-3-[(2-methylphenyl)methyl]-3-phenyl-1-benzofuran-2-one
CID 162398251
CID 140630269
CID 140630269
2-(2-methylphenyl)acetic acid
CID 67440217
1-benzyl-2-methylbenzene;hydrochloride
CID 139328614
1-(2,2-dimethylpropyl)-2-methylbenzene
CID 21464495
2-[(2-methylphenyl)methyl]-1,3-dihydroinden-2-ol
CID 60797949
1-(chloromethyl)-2-methylbenzene
CID 11093
benzene;1,2-diethylbenzene;1,2-xylene
CID 174742983
1-(2,3-dimethyl-3-phenylcyclopropen-1-yl)-2-methylbenzene
CID 144806190
1-(benzylselanylmethyl)-2-methylbenzene
CID 10039052
N,N-dimethyl-1,2,3-triphenylcycloprop-2-en-1-amine
CID 616519

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[[(1R)-2-methyl-1,3-diphenylcycloprop-2-en-1-yl]methyl]benzene?
The IUPAC name of 1-methyl-2-[[(1R)-2-methyl-1,3-diphenylcycloprop-2-en-1-yl]methyl]benzene (CID 9498806) is 1-methyl-2-[[(1R)-2-methyl-1,3-diphenylcycloprop-2-en-1-yl]methyl]benzene.
What is the SMILES notation for 1-methyl-2-[[(1R)-2-methyl-1,3-diphenylcycloprop-2-en-1-yl]methyl]benzene?
The canonical SMILES for 1-methyl-2-[[(1R)-2-methyl-1,3-diphenylcycloprop-2-en-1-yl]methyl]benzene is CC1=C(c2ccccc2)[C@]1(Cc1ccccc1C)c1ccccc1.
What is the InChIKey of 1-methyl-2-[[(1R)-2-methyl-1,3-diphenylcycloprop-2-en-1-yl]methyl]benzene?
The InChIKey is HZDDXMSZYMQOIZ-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H22/c1-18-11-9-10-14-21(18)17-24(22-15-7-4-8-16-22)19(2)23(24)20-12-5-3-6-13-20/h3-16H,17H2,1-2H3/t24-/m0/s1.
What are the key properties of 1-methyl-2-[[(1R)-2-methyl-1,3-diphenylcycloprop-2-en-1-yl]methyl]benzene?
1-methyl-2-[[(1R)-2-methyl-1,3-diphenylcycloprop-2-en-1-yl]methyl]benzene has a molecular weight of 310.44 g/mol, XLogP of 5.96, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[[(1R)-2-methyl-1,3-diphenylcycloprop-2-en-1-yl]methyl]benzene is sourced from PubChem (CID 9498806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).