2-cyclohexa-1,3-dien-1-ylpropan-1-ol

C9H14O — CID 118601022

IUPAC2-cyclohexa-1,3-dien-1-ylpropan-1-ol
SMILESCC(CO)C1=CC=CCC1
InChIInChI=1S/C9H14O/c1-8(7-10)9-5-3-2-4-6-9/h2-3,5,8,10H,4,6-7H2,1H3
InChIKeyXWGMZTLITOMIOZ-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.89
Rot. Bonds2

About 2-cyclohexa-1,3-dien-1-ylpropan-1-ol

2-cyclohexa-1,3-dien-1-ylpropan-1-ol (PubChem CID 118601022) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-cyclohexa-1,3-dien-1-ylpropan-1-ol.

Molecular Properties

Compound Name2-cyclohexa-1,3-dien-1-ylpropan-1-ol
PubChem CID118601022
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name2-cyclohexa-1,3-dien-1-ylpropan-1-ol
SMILESCC(CO)C1=CC=CCC1
InChIInChI=1S/C9H14O/c1-8(7-10)9-5-3-2-4-6-9/h2-3,5,8,10H,4,6-7H2,1H3
InChIKeyXWGMZTLITOMIOZ-UHFFFAOYSA-N
XLogP1.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,3-dien-1-ylpropan-1-ol?
The IUPAC name of 2-cyclohexa-1,3-dien-1-ylpropan-1-ol (CID 118601022) is 2-cyclohexa-1,3-dien-1-ylpropan-1-ol.
What is the SMILES notation for 2-cyclohexa-1,3-dien-1-ylpropan-1-ol?
The canonical SMILES for 2-cyclohexa-1,3-dien-1-ylpropan-1-ol is CC(CO)C1=CC=CCC1.
What is the InChIKey of 2-cyclohexa-1,3-dien-1-ylpropan-1-ol?
The InChIKey is XWGMZTLITOMIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-8(7-10)9-5-3-2-4-6-9/h2-3,5,8,10H,4,6-7H2,1H3.
What are the key properties of 2-cyclohexa-1,3-dien-1-ylpropan-1-ol?
2-cyclohexa-1,3-dien-1-ylpropan-1-ol has a molecular weight of 138.21 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,3-dien-1-ylpropan-1-ol is sourced from PubChem (CID 118601022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).