(3Z)-4-benzylhexa-1,3,5-trien-2-ol

C13H14O — CID 144855364

IUPAC(3Z)-4-benzylhexa-1,3,5-trien-2-ol
SMILESC=C/C(=C\C(=C)O)Cc1ccccc1
InChIInChI=1S/C13H14O/c1-3-12(9-11(2)14)10-13-7-5-4-6-8-13/h3-9,14H,1-2,10H2/b12-9+
InChIKeyZVOHARDGGHIUSP-FMIVXFBMSA-N
MW186.25 g/mol
LogP3.41
Rot. Bonds4

About (3Z)-4-benzylhexa-1,3,5-trien-2-ol

(3Z)-4-benzylhexa-1,3,5-trien-2-ol (PubChem CID 144855364) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is (3Z)-4-benzylhexa-1,3,5-trien-2-ol.

Molecular Properties

Compound Name(3Z)-4-benzylhexa-1,3,5-trien-2-ol
PubChem CID144855364
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name(3Z)-4-benzylhexa-1,3,5-trien-2-ol
SMILESC=C/C(=C\C(=C)O)Cc1ccccc1
InChIInChI=1S/C13H14O/c1-3-12(9-11(2)14)10-13-7-5-4-6-8-13/h3-9,14H,1-2,10H2/b12-9+
InChIKeyZVOHARDGGHIUSP-FMIVXFBMSA-N
XLogP3.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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CID 172997253
ethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene;propane
CID 143940150
ethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene;(2Z,4Z)-hexa-2,4-diene
CID 145283971
2,3-bis(ethenyl)penta-2,4-dienylbenzene
CID 142535288
N-[(2Z)-3-methyl-1-phenylpenta-2,4-dien-2-yl]methanimine
CID 156852680
(3Z)-4-ethenyl-8-(3-ethylphenyl)-6-methylideneocta-1,3-dien-2-ol
CID 145499398
[(3Z)-4,5-dimethyl-2-methylidenehexa-3,5-dienyl]benzene
CID 143856849
[(1Z)-2,4-dibenzyl-5-phenylpenta-1,3-dienyl]benzene
CID 16638609
[(Z)-2-methylbut-2-enyl]benzene
CID 59870366
(E)-2-benzyl-3-iodoprop-2-enal
CID 166527118
3-methyl-4-phenylbut-2-enoic acid
CID 22414

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-benzylhexa-1,3,5-trien-2-ol?
The IUPAC name of (3Z)-4-benzylhexa-1,3,5-trien-2-ol (CID 144855364) is (3Z)-4-benzylhexa-1,3,5-trien-2-ol.
What is the SMILES notation for (3Z)-4-benzylhexa-1,3,5-trien-2-ol?
The canonical SMILES for (3Z)-4-benzylhexa-1,3,5-trien-2-ol is C=C/C(=C\C(=C)O)Cc1ccccc1.
What is the InChIKey of (3Z)-4-benzylhexa-1,3,5-trien-2-ol?
The InChIKey is ZVOHARDGGHIUSP-FMIVXFBMSA-N. The full InChI is InChI=1S/C13H14O/c1-3-12(9-11(2)14)10-13-7-5-4-6-8-13/h3-9,14H,1-2,10H2/b12-9+.
What are the key properties of (3Z)-4-benzylhexa-1,3,5-trien-2-ol?
(3Z)-4-benzylhexa-1,3,5-trien-2-ol has a molecular weight of 186.25 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-benzylhexa-1,3,5-trien-2-ol is sourced from PubChem (CID 144855364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).