3-benzylhexa-4,5-dien-1-ol

C13H16O — CID 132552069

IUPAC3-benzylhexa-4,5-dien-1-ol
SMILESC=C=CC(CCO)Cc1ccccc1
InChIInChI=1S/C13H16O/c1-2-6-12(9-10-14)11-13-7-4-3-5-8-13/h3-8,12,14H,1,9-11H2
InChIKeyJPOLKYFEDBGHJK-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.57
Rot. Bonds5

About 3-benzylhexa-4,5-dien-1-ol

3-benzylhexa-4,5-dien-1-ol (PubChem CID 132552069) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-benzylhexa-4,5-dien-1-ol.

Molecular Properties

Compound Name3-benzylhexa-4,5-dien-1-ol
PubChem CID132552069
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name3-benzylhexa-4,5-dien-1-ol
SMILESC=C=CC(CCO)Cc1ccccc1
InChIInChI=1S/C13H16O/c1-2-6-12(9-10-14)11-13-7-4-3-5-8-13/h3-8,12,14H,1,9-11H2
InChIKeyJPOLKYFEDBGHJK-UHFFFAOYSA-N
XLogP2.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S,4R)-5-phenylpentane-1,3,4-triol
CID 118708003
3-(benzenesulfinyl)hexa-4,5-dien-1-ol
CID 101143112
(2S)-2-benzylbut-3-en-1-ol
CID 11084196
3-diphenylphosphorylhexa-4,5-dien-1-ol
CID 101143116
(3R)-3-benzylpent-4-enoic acid
CID 124641906
[(2R)-4-hydroxy-1-phenylbutan-2-yl]carbamic acid
CID 142645077
[(2S)-penta-3,4-dien-2-yl]oxymethylbenzene
CID 102468732
(3S)-3-benzylheptan-1-ol
CID 15214037
1,6-diphenylhexane-2,5-diol
CID 15072586
3-(benzenesulfinyl)octa-6,7-dien-1-ol
CID 101143114
(2S)-1-phenylhex-5-en-2-ol
CID 102339258
(2S)-2-benzyl-4-phenylbutanal
CID 58416977

Frequently Asked Questions

What is the IUPAC name of 3-benzylhexa-4,5-dien-1-ol?
The IUPAC name of 3-benzylhexa-4,5-dien-1-ol (CID 132552069) is 3-benzylhexa-4,5-dien-1-ol.
What is the SMILES notation for 3-benzylhexa-4,5-dien-1-ol?
The canonical SMILES for 3-benzylhexa-4,5-dien-1-ol is C=C=CC(CCO)Cc1ccccc1.
What is the InChIKey of 3-benzylhexa-4,5-dien-1-ol?
The InChIKey is JPOLKYFEDBGHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-2-6-12(9-10-14)11-13-7-4-3-5-8-13/h3-8,12,14H,1,9-11H2.
What are the key properties of 3-benzylhexa-4,5-dien-1-ol?
3-benzylhexa-4,5-dien-1-ol has a molecular weight of 188.27 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylhexa-4,5-dien-1-ol is sourced from PubChem (CID 132552069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).