benzene;ethane;methanol

C15H34O — CID 54028567

IUPACbenzene;ethane;methanol
SMILESCC.CC.CC.CC.CO.c1ccccc1
InChIInChI=1S/C6H6.4C2H6.CH4O/c1-2-4-6-5-3-1;5*1-2/h1-6H;4*1-2H3;2H,1H3
InChIKeyLDYHHXAGGZHPGL-UHFFFAOYSA-N
MW230.44 g/mol
LogP5.40
Rot. Bonds

About benzene;ethane;methanol

benzene;ethane;methanol (PubChem CID 54028567) has the molecular formula C15H34O and a molecular weight of 230.44 g/mol. Its IUPAC name is benzene;ethane;methanol.

Molecular Properties

Compound Namebenzene;ethane;methanol
PubChem CID54028567
Molecular FormulaC15H34O
Molecular Weight230.44 g/mol
Exact Mass230.26
IUPAC Namebenzene;ethane;methanol
SMILESCC.CC.CC.CC.CO.c1ccccc1
InChIInChI=1S/C6H6.4C2H6.CH4O/c1-2-4-6-5-3-1;5*1-2/h1-6H;4*1-2H3;2H,1H3
InChIKeyLDYHHXAGGZHPGL-UHFFFAOYSA-N
XLogP5.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.44
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of benzene;ethane;methanol?
The IUPAC name of benzene;ethane;methanol (CID 54028567) is benzene;ethane;methanol.
What is the SMILES notation for benzene;ethane;methanol?
The canonical SMILES for benzene;ethane;methanol is CC.CC.CC.CC.CO.c1ccccc1.
What is the InChIKey of benzene;ethane;methanol?
The InChIKey is LDYHHXAGGZHPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.4C2H6.CH4O/c1-2-4-6-5-3-1;5*1-2/h1-6H;4*1-2H3;2H,1H3.
What are the key properties of benzene;ethane;methanol?
benzene;ethane;methanol has a molecular weight of 230.44 g/mol, XLogP of 5.40, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;methanol is sourced from PubChem (CID 54028567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).