1-methyl-3-(1-phenylethyl)-2-propan-2-ylbenzene

C18H22 — CID 18968375

IUPAC1-methyl-3-(1-phenylethyl)-2-propan-2-ylbenzene
SMILESCc1cccc(C(C)c2ccccc2)c1C(C)C
InChIInChI=1S/C18H22/c1-13(2)18-14(3)9-8-12-17(18)15(4)16-10-6-5-7-11-16/h5-13,15H,1-4H3
InChIKeyJACNITBNVYWOQK-UHFFFAOYSA-N
MW238.37 g/mol
LogP5.27
Rot. Bonds3

About 1-methyl-3-(1-phenylethyl)-2-propan-2-ylbenzene

1-methyl-3-(1-phenylethyl)-2-propan-2-ylbenzene (PubChem CID 18968375) has the molecular formula C18H22 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-methyl-3-(1-phenylethyl)-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1-methyl-3-(1-phenylethyl)-2-propan-2-ylbenzene
PubChem CID18968375
Molecular FormulaC18H22
Molecular Weight238.37 g/mol
Exact Mass238.17
IUPAC Name1-methyl-3-(1-phenylethyl)-2-propan-2-ylbenzene
SMILESCc1cccc(C(C)c2ccccc2)c1C(C)C
InChIInChI=1S/C18H22/c1-13(2)18-14(3)9-8-12-17(18)15(4)16-10-6-5-7-11-16/h5-13,15H,1-4H3
InChIKeyJACNITBNVYWOQK-UHFFFAOYSA-N
XLogP5.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.37
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-dimethyl-2-[1-[2-(1-phenylethyl)phenyl]ethyl]benzene
CID 3024109
2-methyl-1,3-bis(1-phenylethyl)benzene
CID 58862393
2-methyl-6-(1-phenylethyl)benzoic acid
CID 172685979
1-phenylethylbenzene
CID 11918
1-phenylethylbenzene
CID 142851428
1,2,3-tris(1-phenylethyl)-4-[2,3,4-tris(1-phenylethyl)phenoxy]benzene
CID 69457380
3-methyl-2,6-bis(1-phenylethyl)-4-propan-2-ylphenol
CID 90085264
2-[1-(2-hydroxyphenyl)ethyl]-3-methylphenol
CID 66812750
1-bromo-4-[1-(2-methylphenyl)ethyl]benzene
CID 71518832
1-phenylethylbenzene;stibane
CID 174965918
ethane;1-phenylethylbenzene
CID 164998811
1,2,3,4,5-pentamethyl-6-(1-phenylethyl)benzene
CID 54426646

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-phenylethyl)-2-propan-2-ylbenzene?
The IUPAC name of 1-methyl-3-(1-phenylethyl)-2-propan-2-ylbenzene (CID 18968375) is 1-methyl-3-(1-phenylethyl)-2-propan-2-ylbenzene.
What is the SMILES notation for 1-methyl-3-(1-phenylethyl)-2-propan-2-ylbenzene?
The canonical SMILES for 1-methyl-3-(1-phenylethyl)-2-propan-2-ylbenzene is Cc1cccc(C(C)c2ccccc2)c1C(C)C.
What is the InChIKey of 1-methyl-3-(1-phenylethyl)-2-propan-2-ylbenzene?
The InChIKey is JACNITBNVYWOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22/c1-13(2)18-14(3)9-8-12-17(18)15(4)16-10-6-5-7-11-16/h5-13,15H,1-4H3.
What are the key properties of 1-methyl-3-(1-phenylethyl)-2-propan-2-ylbenzene?
1-methyl-3-(1-phenylethyl)-2-propan-2-ylbenzene has a molecular weight of 238.37 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-phenylethyl)-2-propan-2-ylbenzene is sourced from PubChem (CID 18968375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).