(3Z,5Z)-5-phenylocta-3,5,7-trien-3-ol

C14H16O — CID 142021955

IUPAC(3Z,5Z)-5-phenylocta-3,5,7-trien-3-ol
SMILESC=C/C=C(/C=C(\O)CC)c1ccccc1
InChIInChI=1S/C14H16O/c1-3-8-13(11-14(15)4-2)12-9-6-5-7-10-12/h3,5-11,15H,1,4H2,2H3/b13-8-,14-11-
InChIKeyHRPKEJBTDLOEPA-IPLJFLPMSA-N
MW200.28 g/mol
LogP4.11
Rot. Bonds4

About (3Z,5Z)-5-phenylocta-3,5,7-trien-3-ol

(3Z,5Z)-5-phenylocta-3,5,7-trien-3-ol (PubChem CID 142021955) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is (3Z,5Z)-5-phenylocta-3,5,7-trien-3-ol.

Molecular Properties

Compound Name(3Z,5Z)-5-phenylocta-3,5,7-trien-3-ol
PubChem CID142021955
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name(3Z,5Z)-5-phenylocta-3,5,7-trien-3-ol
SMILESC=C/C=C(/C=C(\O)CC)c1ccccc1
InChIInChI=1S/C14H16O/c1-3-8-13(11-14(15)4-2)12-9-6-5-7-10-12/h3,5-11,15H,1,4H2,2H3/b13-8-,14-11-
InChIKeyHRPKEJBTDLOEPA-IPLJFLPMSA-N
XLogP4.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 54.11
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

[(3E,5E,7E)-7-ethenyl-6-methyldeca-1,3,5,7,9-pentaen-4-yl]benzene
CID 145134846
ethane;[(3E)-hexa-1,3,5-trien-3-yl]benzene;molecular hydrogen
CID 142347036
[(3E,5Z)-5-ethylhepta-1,3,5-trien-4-yl]benzene
CID 142040611
butane;1-[(3E)-hexa-1,3,5-trien-3-yl]-4-methylbenzene;1-methyl-4-phenylbenzene
CID 143258113
[(1E)-1-ethoxybuta-1,3-dienyl]benzene
CID 10487466
ethane;1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-phenylbenzene;methane;propane
CID 142497192
1-methyl-1-[(1E)-1-phenylbuta-1,3-dienyl]hydrazine
CID 89298001
1-phenylbuta-1,3-dienylbenzene;samarium
CID 173396801
1-phenylhexa-1,3,5-trienylbenzene;propanoic acid
CID 158549919
[(3E,5E)-nona-1,3,5-trien-3-yl]benzene
CID 100974520
ethane;methanol;[(3E,5Z)-octa-1,3,5-trien-3-yl]benzene
CID 145162668
(1Z)-1-phenylbuta-1,3-diene-1-thiol
CID 11193677

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-5-phenylocta-3,5,7-trien-3-ol?
The IUPAC name of (3Z,5Z)-5-phenylocta-3,5,7-trien-3-ol (CID 142021955) is (3Z,5Z)-5-phenylocta-3,5,7-trien-3-ol.
What is the SMILES notation for (3Z,5Z)-5-phenylocta-3,5,7-trien-3-ol?
The canonical SMILES for (3Z,5Z)-5-phenylocta-3,5,7-trien-3-ol is C=C/C=C(/C=C(\O)CC)c1ccccc1.
What is the InChIKey of (3Z,5Z)-5-phenylocta-3,5,7-trien-3-ol?
The InChIKey is HRPKEJBTDLOEPA-IPLJFLPMSA-N. The full InChI is InChI=1S/C14H16O/c1-3-8-13(11-14(15)4-2)12-9-6-5-7-10-12/h3,5-11,15H,1,4H2,2H3/b13-8-,14-11-.
What are the key properties of (3Z,5Z)-5-phenylocta-3,5,7-trien-3-ol?
(3Z,5Z)-5-phenylocta-3,5,7-trien-3-ol has a molecular weight of 200.28 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-5-phenylocta-3,5,7-trien-3-ol is sourced from PubChem (CID 142021955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).