1,2,3,4,5-pentamethyl-6-(1-phenylethyl)benzene

C19H24 — CID 54426646

IUPAC1,2,3,4,5-pentamethyl-6-(1-phenylethyl)benzene
SMILESCc1c(C)c(C)c(C(C)c2ccccc2)c(C)c1C
InChIInChI=1S/C19H24/c1-12-13(2)15(4)19(16(5)14(12)3)17(6)18-10-8-7-9-11-18/h7-11,17H,1-6H3
InChIKeyLLHYFFYZGZHFIG-UHFFFAOYSA-N
MW252.40 g/mol
LogP5.38
Rot. Bonds2

About 1,2,3,4,5-pentamethyl-6-(1-phenylethyl)benzene

1,2,3,4,5-pentamethyl-6-(1-phenylethyl)benzene (PubChem CID 54426646) has the molecular formula C19H24 and a molecular weight of 252.40 g/mol. Its IUPAC name is 1,2,3,4,5-pentamethyl-6-(1-phenylethyl)benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentamethyl-6-(1-phenylethyl)benzene
PubChem CID54426646
Molecular FormulaC19H24
Molecular Weight252.40 g/mol
Exact Mass252.19
IUPAC Name1,2,3,4,5-pentamethyl-6-(1-phenylethyl)benzene
SMILESCc1c(C)c(C)c(C(C)c2ccccc2)c(C)c1C
InChIInChI=1S/C19H24/c1-12-13(2)15(4)19(16(5)14(12)3)17(6)18-10-8-7-9-11-18/h7-11,17H,1-6H3
InChIKeyLLHYFFYZGZHFIG-UHFFFAOYSA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.40
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-phenylethylbenzene
CID 142851428
1-phenylethylbenzene
CID 11918
1,2,4,5-tetrafluoro-3-methyl-6-(1-phenylethyl)benzene
CID 86056294
1-phenylethylbenzene;stibane
CID 174965918
ethane;1-phenylethylbenzene
CID 164998811
2-methyl-1,3-bis(1-phenylethyl)benzene
CID 58862393
1-[chloro(phenyl)methyl]-2,3,4,5,6-pentamethylbenzene
CID 2776679
(2,3,4,5,6-pentamethylphenyl)-phenylmethanol
CID 2803280
ethane;methane;1-phenylethylbenzene
CID 143105414
6-hydroxy-4,5-dimethyl-3-(1-phenylethyl)-1H-pyridin-2-one
CID 20541693
1-[3,4,5-trimethyl-2,6-bis[(1R)-1-phenylethyl]phenyl]ethane-1,2-diimine
CID 175203205
1,2,3,4,5-pentamethyl-6-[1-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 132573650

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentamethyl-6-(1-phenylethyl)benzene?
The IUPAC name of 1,2,3,4,5-pentamethyl-6-(1-phenylethyl)benzene (CID 54426646) is 1,2,3,4,5-pentamethyl-6-(1-phenylethyl)benzene.
What is the SMILES notation for 1,2,3,4,5-pentamethyl-6-(1-phenylethyl)benzene?
The canonical SMILES for 1,2,3,4,5-pentamethyl-6-(1-phenylethyl)benzene is Cc1c(C)c(C)c(C(C)c2ccccc2)c(C)c1C.
What is the InChIKey of 1,2,3,4,5-pentamethyl-6-(1-phenylethyl)benzene?
The InChIKey is LLHYFFYZGZHFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24/c1-12-13(2)15(4)19(16(5)14(12)3)17(6)18-10-8-7-9-11-18/h7-11,17H,1-6H3.
What are the key properties of 1,2,3,4,5-pentamethyl-6-(1-phenylethyl)benzene?
1,2,3,4,5-pentamethyl-6-(1-phenylethyl)benzene has a molecular weight of 252.40 g/mol, XLogP of 5.38, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentamethyl-6-(1-phenylethyl)benzene is sourced from PubChem (CID 54426646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).