1-cyclohepta-1,3,4,6-tetraen-1-ylpropan-1-ol

C10H12O — CID 123414082

IUPAC1-cyclohepta-1,3,4,6-tetraen-1-ylpropan-1-ol
SMILESCCC(O)C1=CC=C=CC=C1
InChIInChI=1S/C10H12O/c1-2-10(11)9-7-5-3-4-6-8-9/h3,5-8,10-11H,2H2,1H3
InChIKeyNSOLTOFDZMVUQH-UHFFFAOYSA-N
MW148.20 g/mol
LogP1.96
Rot. Bonds2

About 1-cyclohepta-1,3,4,6-tetraen-1-ylpropan-1-ol

1-cyclohepta-1,3,4,6-tetraen-1-ylpropan-1-ol (PubChem CID 123414082) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 1-cyclohepta-1,3,4,6-tetraen-1-ylpropan-1-ol.

Molecular Properties

Compound Name1-cyclohepta-1,3,4,6-tetraen-1-ylpropan-1-ol
PubChem CID123414082
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name1-cyclohepta-1,3,4,6-tetraen-1-ylpropan-1-ol
SMILESCCC(O)C1=CC=C=CC=C1
InChIInChI=1S/C10H12O/c1-2-10(11)9-7-5-3-4-6-8-9/h3,5-8,10-11H,2H2,1H3
InChIKeyNSOLTOFDZMVUQH-UHFFFAOYSA-N
XLogP1.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohepta-1,3,4,6-tetraen-1-ylpropan-1-ol?
The IUPAC name of 1-cyclohepta-1,3,4,6-tetraen-1-ylpropan-1-ol (CID 123414082) is 1-cyclohepta-1,3,4,6-tetraen-1-ylpropan-1-ol.
What is the SMILES notation for 1-cyclohepta-1,3,4,6-tetraen-1-ylpropan-1-ol?
The canonical SMILES for 1-cyclohepta-1,3,4,6-tetraen-1-ylpropan-1-ol is CCC(O)C1=CC=C=CC=C1.
What is the InChIKey of 1-cyclohepta-1,3,4,6-tetraen-1-ylpropan-1-ol?
The InChIKey is NSOLTOFDZMVUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-2-10(11)9-7-5-3-4-6-8-9/h3,5-8,10-11H,2H2,1H3.
What are the key properties of 1-cyclohepta-1,3,4,6-tetraen-1-ylpropan-1-ol?
1-cyclohepta-1,3,4,6-tetraen-1-ylpropan-1-ol has a molecular weight of 148.20 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohepta-1,3,4,6-tetraen-1-ylpropan-1-ol is sourced from PubChem (CID 123414082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).