benzene;ethane;propan-1-ol

C11H20O — CID 91328540

IUPACbenzene;ethane;propan-1-ol
SMILESCC.CCCO.c1ccccc1
InChIInChI=1S/C6H6.C3H8O.C2H6/c1-2-4-6-5-3-1;1-2-3-4;1-2/h1-6H;4H,2-3H2,1H3;1-2H3
InChIKeyZIGJLTNROOAWIY-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.10
Rot. Bonds1

About benzene;ethane;propan-1-ol

benzene;ethane;propan-1-ol (PubChem CID 91328540) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is benzene;ethane;propan-1-ol.

Molecular Properties

Compound Namebenzene;ethane;propan-1-ol
PubChem CID91328540
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Namebenzene;ethane;propan-1-ol
SMILESCC.CCCO.c1ccccc1
InChIInChI=1S/C6H6.C3H8O.C2H6/c1-2-4-6-5-3-1;1-2-3-4;1-2/h1-6H;4H,2-3H2,1H3;1-2H3
InChIKeyZIGJLTNROOAWIY-UHFFFAOYSA-N
XLogP3.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 150799125
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Frequently Asked Questions

What is the IUPAC name of benzene;ethane;propan-1-ol?
The IUPAC name of benzene;ethane;propan-1-ol (CID 91328540) is benzene;ethane;propan-1-ol.
What is the SMILES notation for benzene;ethane;propan-1-ol?
The canonical SMILES for benzene;ethane;propan-1-ol is CC.CCCO.c1ccccc1.
What is the InChIKey of benzene;ethane;propan-1-ol?
The InChIKey is ZIGJLTNROOAWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C3H8O.C2H6/c1-2-4-6-5-3-1;1-2-3-4;1-2/h1-6H;4H,2-3H2,1H3;1-2H3.
What are the key properties of benzene;ethane;propan-1-ol?
benzene;ethane;propan-1-ol has a molecular weight of 168.28 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;propan-1-ol is sourced from PubChem (CID 91328540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).