ethane;methane;1-phenylethylbenzene

C17H24 — CID 143105414

IUPACethane;methane;1-phenylethylbenzene
SMILESC.CC.CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H14.C2H6.CH4/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-2;/h2-12H,1H3;1-2H3;1H4
InChIKeyBDVKKLVXMIACOH-UHFFFAOYSA-N
MW228.38 g/mol
LogP5.50
Rot. Bonds2

About ethane;methane;1-phenylethylbenzene

ethane;methane;1-phenylethylbenzene (PubChem CID 143105414) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is ethane;methane;1-phenylethylbenzene.

Molecular Properties

Compound Nameethane;methane;1-phenylethylbenzene
PubChem CID143105414
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Nameethane;methane;1-phenylethylbenzene
SMILESC.CC.CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H14.C2H6.CH4/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-2;/h2-12H,1H3;1-2H3;1H4
InChIKeyBDVKKLVXMIACOH-UHFFFAOYSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.38
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze ethane;methane;1-phenylethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;1-phenylethylbenzene
CID 164998811
1-phenylethylbenzene
CID 142851428
1-phenylethylbenzene
CID 11918
1-phenylethylbenzene;stibane
CID 174965918
cumene;ethane;1-phenylethylbenzene
CID 158118082
ethanamine;1-phenylethylbenzene
CID 19985218
ethane;2-fluorobutane;1-phenylethylbenzene
CID 142933891
ethane;methane;2-methylpropane;pentane;1,3,5-tris(1-phenylethyl)benzene
CID 145108113
isocyanic acid;1-phenylethylbenzene
CID 172750897
cumene;ethane
CID 54306132
ethane;[(2S)-3-phenylbutan-2-yl]benzene
CID 143602107
CID 159310434
CID 159310434

Frequently Asked Questions

What is the IUPAC name of ethane;methane;1-phenylethylbenzene?
The IUPAC name of ethane;methane;1-phenylethylbenzene (CID 143105414) is ethane;methane;1-phenylethylbenzene.
What is the SMILES notation for ethane;methane;1-phenylethylbenzene?
The canonical SMILES for ethane;methane;1-phenylethylbenzene is C.CC.CC(c1ccccc1)c1ccccc1.
What is the InChIKey of ethane;methane;1-phenylethylbenzene?
The InChIKey is BDVKKLVXMIACOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14.C2H6.CH4/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-2;/h2-12H,1H3;1-2H3;1H4.
What are the key properties of ethane;methane;1-phenylethylbenzene?
ethane;methane;1-phenylethylbenzene has a molecular weight of 228.38 g/mol, XLogP of 5.50, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;1-phenylethylbenzene is sourced from PubChem (CID 143105414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).