1,2-dimethyl-3-(1-phenylethyl)benzene

C16H18 — CID 3033855

IUPAC1,2-dimethyl-3-(1-phenylethyl)benzene
SMILESCc1cccc(C(C)c2ccccc2)c1C
InChIInChI=1S/C16H18/c1-12-8-7-11-16(13(12)2)14(3)15-9-5-4-6-10-15/h4-11,14H,1-3H3
InChIKeyGNPWYHFXSMINJQ-UHFFFAOYSA-N
MW210.32 g/mol
LogP4.46
Rot. Bonds2

About 1,2-dimethyl-3-(1-phenylethyl)benzene

1,2-dimethyl-3-(1-phenylethyl)benzene (PubChem CID 3033855) has the molecular formula C16H18 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1,2-dimethyl-3-(1-phenylethyl)benzene.

Molecular Properties

Compound Name1,2-dimethyl-3-(1-phenylethyl)benzene
PubChem CID3033855
Molecular FormulaC16H18
Molecular Weight210.32 g/mol
Exact Mass210.14
IUPAC Name1,2-dimethyl-3-(1-phenylethyl)benzene
SMILESCc1cccc(C(C)c2ccccc2)c1C
InChIInChI=1S/C16H18/c1-12-8-7-11-16(13(12)2)14(3)15-9-5-4-6-10-15/h4-11,14H,1-3H3
InChIKeyGNPWYHFXSMINJQ-UHFFFAOYSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-(1-phenylethyl)benzene?
The IUPAC name of 1,2-dimethyl-3-(1-phenylethyl)benzene (CID 3033855) is 1,2-dimethyl-3-(1-phenylethyl)benzene.
What is the SMILES notation for 1,2-dimethyl-3-(1-phenylethyl)benzene?
The canonical SMILES for 1,2-dimethyl-3-(1-phenylethyl)benzene is Cc1cccc(C(C)c2ccccc2)c1C.
What is the InChIKey of 1,2-dimethyl-3-(1-phenylethyl)benzene?
The InChIKey is GNPWYHFXSMINJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18/c1-12-8-7-11-16(13(12)2)14(3)15-9-5-4-6-10-15/h4-11,14H,1-3H3.
What are the key properties of 1,2-dimethyl-3-(1-phenylethyl)benzene?
1,2-dimethyl-3-(1-phenylethyl)benzene has a molecular weight of 210.32 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-(1-phenylethyl)benzene is sourced from PubChem (CID 3033855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).