1-[(2-methyl-1,3-diphenylcycloprop-2-en-1-yl)methyl]-2-propan-2-ylbenzene

C26H26 — CID 134888866

IUPAC1-[(2-methyl-1,3-diphenylcycloprop-2-en-1-yl)methyl]-2-propan-2-ylbenzene
SMILESCC1=C(c2ccccc2)C1(Cc1ccccc1C(C)C)c1ccccc1
InChIInChI=1S/C26H26/c1-19(2)24-17-11-10-14-22(24)18-26(23-15-8-5-9-16-23)20(3)25(26)21-12-6-4-7-13-21/h4-17,19H,18H2,1-3H3
InChIKeyMAOXUHAQDBNAFD-UHFFFAOYSA-N
MW338.49 g/mol
LogP6.78
Rot. Bonds5

About 1-[(2-methyl-1,3-diphenylcycloprop-2-en-1-yl)methyl]-2-propan-2-ylbenzene

1-[(2-methyl-1,3-diphenylcycloprop-2-en-1-yl)methyl]-2-propan-2-ylbenzene (PubChem CID 134888866) has the molecular formula C26H26 and a molecular weight of 338.49 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-diphenylcycloprop-2-en-1-yl)methyl]-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1-[(2-methyl-1,3-diphenylcycloprop-2-en-1-yl)methyl]-2-propan-2-ylbenzene
PubChem CID134888866
Molecular FormulaC26H26
Molecular Weight338.49 g/mol
Exact Mass338.20
IUPAC Name1-[(2-methyl-1,3-diphenylcycloprop-2-en-1-yl)methyl]-2-propan-2-ylbenzene
SMILESCC1=C(c2ccccc2)C1(Cc1ccccc1C(C)C)c1ccccc1
InChIInChI=1S/C26H26/c1-19(2)24-17-11-10-14-22(24)18-26(23-15-8-5-9-16-23)20(3)25(26)21-12-6-4-7-13-21/h4-17,19H,18H2,1-3H3
InChIKeyMAOXUHAQDBNAFD-UHFFFAOYSA-N
XLogP6.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.49
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-2-[[(1R)-2-methyl-1,3-diphenylcycloprop-2-en-1-yl]methyl]benzene
CID 9498806
CID 173166794
CID 173166794
1-propan-2-yl-2-[(2-propan-2-ylphenyl)methyl]benzene
CID 15068594
1-benzyl-2-propan-2-ylbenzene
CID 13215617
(2-propan-2-ylphenyl)methanamine
CID 15040708
2-(2-propan-2-ylphenyl)acetic acid;hydrochloride
CID 70396456
triphenyl-[(2-propan-2-ylphenyl)methyl]phosphanium
CID 87942469
1,3-bis(2-propan-2-ylphenyl)propan-2-one
CID 21115419
1-(3-methylbutyl)-2-propan-2-ylbenzene
CID 18417614
1-(1,1-dideuterio-2-methylpropyl)-2-propan-2-ylbenzene
CID 167379247
8-methyl-1-phenyl-2-propan-2-ylazulene
CID 141167204
N-methoxy-1-(2-propan-2-ylphenyl)methanamine
CID 82600286

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,3-diphenylcycloprop-2-en-1-yl)methyl]-2-propan-2-ylbenzene?
The IUPAC name of 1-[(2-methyl-1,3-diphenylcycloprop-2-en-1-yl)methyl]-2-propan-2-ylbenzene (CID 134888866) is 1-[(2-methyl-1,3-diphenylcycloprop-2-en-1-yl)methyl]-2-propan-2-ylbenzene.
What is the SMILES notation for 1-[(2-methyl-1,3-diphenylcycloprop-2-en-1-yl)methyl]-2-propan-2-ylbenzene?
The canonical SMILES for 1-[(2-methyl-1,3-diphenylcycloprop-2-en-1-yl)methyl]-2-propan-2-ylbenzene is CC1=C(c2ccccc2)C1(Cc1ccccc1C(C)C)c1ccccc1.
What is the InChIKey of 1-[(2-methyl-1,3-diphenylcycloprop-2-en-1-yl)methyl]-2-propan-2-ylbenzene?
The InChIKey is MAOXUHAQDBNAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26/c1-19(2)24-17-11-10-14-22(24)18-26(23-15-8-5-9-16-23)20(3)25(26)21-12-6-4-7-13-21/h4-17,19H,18H2,1-3H3.
What are the key properties of 1-[(2-methyl-1,3-diphenylcycloprop-2-en-1-yl)methyl]-2-propan-2-ylbenzene?
1-[(2-methyl-1,3-diphenylcycloprop-2-en-1-yl)methyl]-2-propan-2-ylbenzene has a molecular weight of 338.49 g/mol, XLogP of 6.78, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,3-diphenylcycloprop-2-en-1-yl)methyl]-2-propan-2-ylbenzene is sourced from PubChem (CID 134888866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).