2-methyl-3-phenyl-1,4-di(propan-2-yl)benzene

C19H24 — CID 154591625

IUPAC2-methyl-3-phenyl-1,4-di(propan-2-yl)benzene
SMILESCc1c(C(C)C)ccc(C(C)C)c1-c1ccccc1
InChIInChI=1S/C19H24/c1-13(2)17-11-12-18(14(3)4)19(15(17)5)16-9-7-6-8-10-16/h6-14H,1-5H3
InChIKeyUSFAJVARVNTSOI-UHFFFAOYSA-N
MW252.40 g/mol
LogP5.91
Rot. Bonds3

About 2-methyl-3-phenyl-1,4-di(propan-2-yl)benzene

2-methyl-3-phenyl-1,4-di(propan-2-yl)benzene (PubChem CID 154591625) has the molecular formula C19H24 and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-methyl-3-phenyl-1,4-di(propan-2-yl)benzene.

Molecular Properties

Compound Name2-methyl-3-phenyl-1,4-di(propan-2-yl)benzene
PubChem CID154591625
Molecular FormulaC19H24
Molecular Weight252.40 g/mol
Exact Mass252.19
IUPAC Name2-methyl-3-phenyl-1,4-di(propan-2-yl)benzene
SMILESCc1c(C(C)C)ccc(C(C)C)c1-c1ccccc1
InChIInChI=1S/C19H24/c1-13(2)17-11-12-18(14(3)4)19(15(17)5)16-9-7-6-8-10-16/h6-14H,1-5H3
InChIKeyUSFAJVARVNTSOI-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.40
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 20568657
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CID 140720985
2,4-diphenyl-1,3,5-tri(propan-2-yl)benzene
CID 158905708
8-methyl-1-phenyl-2-propan-2-ylazulene
CID 141167204
1,3,5-triphenyl-2,4,6-tri(propan-2-yl)benzene
CID 175984465
2-(4-methylphenyl)-4-phenyl-1-propan-2-ylbenzene
CID 163504482
2-(4-phenylphenyl)-1,3,5-tri(propan-2-yl)benzene
CID 151062491
bis(4-phenyl-3,5-di(propan-2-yl)aniline);hydrate
CID 174678037
3-phenyl-2,4-di(propan-2-yl)benzenesulfonic acid
CID 175728387
4-(6-amino-2-methyl-3-propan-2-ylphenyl)phenol
CID 22366233
ethane;1,2,3,4,5-pentamethyl-6-phenylbenzene
CID 91414507

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenyl-1,4-di(propan-2-yl)benzene?
The IUPAC name of 2-methyl-3-phenyl-1,4-di(propan-2-yl)benzene (CID 154591625) is 2-methyl-3-phenyl-1,4-di(propan-2-yl)benzene.
What is the SMILES notation for 2-methyl-3-phenyl-1,4-di(propan-2-yl)benzene?
The canonical SMILES for 2-methyl-3-phenyl-1,4-di(propan-2-yl)benzene is Cc1c(C(C)C)ccc(C(C)C)c1-c1ccccc1.
What is the InChIKey of 2-methyl-3-phenyl-1,4-di(propan-2-yl)benzene?
The InChIKey is USFAJVARVNTSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24/c1-13(2)17-11-12-18(14(3)4)19(15(17)5)16-9-7-6-8-10-16/h6-14H,1-5H3.
What are the key properties of 2-methyl-3-phenyl-1,4-di(propan-2-yl)benzene?
2-methyl-3-phenyl-1,4-di(propan-2-yl)benzene has a molecular weight of 252.40 g/mol, XLogP of 5.91, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenyl-1,4-di(propan-2-yl)benzene is sourced from PubChem (CID 154591625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).