1,2-dimethyl-3-phenylbenzene;ethane

C18H26 — CID 90738674

IUPAC1,2-dimethyl-3-phenylbenzene;ethane
SMILESCC.CC.Cc1cccc(-c2ccccc2)c1C
InChIInChI=1S/C14H14.2C2H6/c1-11-7-6-10-14(12(11)2)13-8-4-3-5-9-13;2*1-2/h3-10H,1-2H3;2*1-2H3
InChIKeyNQEFZHMOLMVMPK-UHFFFAOYSA-N
MW242.41 g/mol
LogP6.02
Rot. Bonds1

About 1,2-dimethyl-3-phenylbenzene;ethane

1,2-dimethyl-3-phenylbenzene;ethane (PubChem CID 90738674) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is 1,2-dimethyl-3-phenylbenzene;ethane.

Molecular Properties

Compound Name1,2-dimethyl-3-phenylbenzene;ethane
PubChem CID90738674
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Name1,2-dimethyl-3-phenylbenzene;ethane
SMILESCC.CC.Cc1cccc(-c2ccccc2)c1C
InChIInChI=1S/C14H14.2C2H6/c1-11-7-6-10-14(12(11)2)13-8-4-3-5-9-13;2*1-2/h3-10H,1-2H3;2*1-2H3
InChIKeyNQEFZHMOLMVMPK-UHFFFAOYSA-N
XLogP6.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.41
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1'-biphenyl;1,2-dimethyl-3-phenylbenzene
CID 173440409
carbonic acid;1,2-dimethyl-3-phenylbenzene
CID 67785413
1,2-dimethyl-3-(2-phenylphenyl)benzene
CID 54215466
1,2-dimethyl-3-[2-(4-phenylphenyl)phenyl]benzene
CID 171799040
1,2-dimethyl-3-phenylbenzene;5-methoxy-2-methyl-1,3-diphenylbenzene
CID 91366779
1-(4-iodophenyl)-2,3-dimethylbenzene
CID 20871963
1-[4-(2,3-dimethylphenyl)phenyl]naphthalene
CID 171799142
1,2-dimethyl-5-phenylnaphthalene
CID 171799128
1-methyl-2-(4-phenylphenyl)benzene
CID 144588078
1-methyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 58389745
1-methyl-2-[4-(2-phenylphenyl)phenyl]benzene
CID 58390061
azane;1-methyl-2,3-diphenylbenzene
CID 175031313

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-phenylbenzene;ethane?
The IUPAC name of 1,2-dimethyl-3-phenylbenzene;ethane (CID 90738674) is 1,2-dimethyl-3-phenylbenzene;ethane.
What is the SMILES notation for 1,2-dimethyl-3-phenylbenzene;ethane?
The canonical SMILES for 1,2-dimethyl-3-phenylbenzene;ethane is CC.CC.Cc1cccc(-c2ccccc2)c1C.
What is the InChIKey of 1,2-dimethyl-3-phenylbenzene;ethane?
The InChIKey is NQEFZHMOLMVMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14.2C2H6/c1-11-7-6-10-14(12(11)2)13-8-4-3-5-9-13;2*1-2/h3-10H,1-2H3;2*1-2H3.
What are the key properties of 1,2-dimethyl-3-phenylbenzene;ethane?
1,2-dimethyl-3-phenylbenzene;ethane has a molecular weight of 242.41 g/mol, XLogP of 6.02, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-phenylbenzene;ethane is sourced from PubChem (CID 90738674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).