2-cyclohexa-2,4-dien-1-ylpropan-1-ol

C9H14O — CID 14494056

IUPAC2-cyclohexa-2,4-dien-1-ylpropan-1-ol
SMILESCC(CO)C1C=CC=CC1
InChIInChI=1S/C9H14O/c1-8(7-10)9-5-3-2-4-6-9/h2-5,8-10H,6-7H2,1H3
InChIKeyPGYCVIQPXLSJTD-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.75
Rot. Bonds2

About 2-cyclohexa-2,4-dien-1-ylpropan-1-ol

2-cyclohexa-2,4-dien-1-ylpropan-1-ol (PubChem CID 14494056) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-cyclohexa-2,4-dien-1-ylpropan-1-ol.

Molecular Properties

Compound Name2-cyclohexa-2,4-dien-1-ylpropan-1-ol
PubChem CID14494056
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name2-cyclohexa-2,4-dien-1-ylpropan-1-ol
SMILESCC(CO)C1C=CC=CC1
InChIInChI=1S/C9H14O/c1-8(7-10)9-5-3-2-4-6-9/h2-5,8-10H,6-7H2,1H3
InChIKeyPGYCVIQPXLSJTD-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2,3,6-Trimethylhept-5-en-1-ol
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(S)-3-cyclohexene-1-methanol
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Cyclohex-4-ene-1,2-diyldimethanol
CID 325100
3-Cyclohexene-1-methanol, (R)-
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(2S,3R)-2,3,6-trimethylhept-5-en-1-ol
CID 11030070
(2R,3R)-2,3,6-trimethylhept-5-en-1-ol
CID 11789459
(3r,4e)-3-Isopropyl-6-methylhepta-4,6-dien-1-ol
CID 45140873
cis-1,2-Dihydroxymethylcyclohex-4-ene
CID 11275057

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-2,4-dien-1-ylpropan-1-ol?
The IUPAC name of 2-cyclohexa-2,4-dien-1-ylpropan-1-ol (CID 14494056) is 2-cyclohexa-2,4-dien-1-ylpropan-1-ol.
What is the SMILES notation for 2-cyclohexa-2,4-dien-1-ylpropan-1-ol?
The canonical SMILES for 2-cyclohexa-2,4-dien-1-ylpropan-1-ol is CC(CO)C1C=CC=CC1.
What is the InChIKey of 2-cyclohexa-2,4-dien-1-ylpropan-1-ol?
The InChIKey is PGYCVIQPXLSJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-8(7-10)9-5-3-2-4-6-9/h2-5,8-10H,6-7H2,1H3.
What are the key properties of 2-cyclohexa-2,4-dien-1-ylpropan-1-ol?
2-cyclohexa-2,4-dien-1-ylpropan-1-ol has a molecular weight of 138.21 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-2,4-dien-1-ylpropan-1-ol is sourced from PubChem (CID 14494056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).