1,1'-biphenyl;methanol;propane

C20H34O2 — CID 91033003

IUPAC1,1'-biphenyl;methanol;propane
SMILESCCC.CCC.CO.CO.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.2C3H8.2CH4O/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*1-3-2;2*1-2/h1-10H;2*3H2,1-2H3;2*2H,1H3
InChIKeyWILFROTZYYAKFX-UHFFFAOYSA-N
MW306.49 g/mol
LogP5.40
Rot. Bonds1

About 1,1'-biphenyl;methanol;propane

1,1'-biphenyl;methanol;propane (PubChem CID 91033003) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is 1,1'-biphenyl;methanol;propane.

Molecular Properties

Compound Name1,1'-biphenyl;methanol;propane
PubChem CID91033003
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name1,1'-biphenyl;methanol;propane
SMILESCCC.CCC.CO.CO.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.2C3H8.2CH4O/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*1-3-2;2*1-2/h1-10H;2*3H2,1-2H3;2*2H,1H3
InChIKeyWILFROTZYYAKFX-UHFFFAOYSA-N
XLogP5.40
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;methanol;propane?
The IUPAC name of 1,1'-biphenyl;methanol;propane (CID 91033003) is 1,1'-biphenyl;methanol;propane.
What is the SMILES notation for 1,1'-biphenyl;methanol;propane?
The canonical SMILES for 1,1'-biphenyl;methanol;propane is CCC.CCC.CO.CO.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;methanol;propane?
The InChIKey is WILFROTZYYAKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.2C3H8.2CH4O/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*1-3-2;2*1-2/h1-10H;2*3H2,1-2H3;2*2H,1H3.
What are the key properties of 1,1'-biphenyl;methanol;propane?
1,1'-biphenyl;methanol;propane has a molecular weight of 306.49 g/mol, XLogP of 5.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;methanol;propane is sourced from PubChem (CID 91033003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).