(4E)-4-ethenyl-3-phenylhepta-1,4,6-trien-2-ol

C15H16O — CID 142139727

IUPAC(4E)-4-ethenyl-3-phenylhepta-1,4,6-trien-2-ol
SMILESC=C/C=C(\C=C)C(C(=C)O)c1ccccc1
InChIInChI=1S/C15H16O/c1-4-9-13(5-2)15(12(3)16)14-10-7-6-8-11-14/h4-11,15-16H,1-3H2/b13-9+
InChIKeyGQACXSNWNSAPOR-UKTHLTGXSA-N
MW212.29 g/mol
LogP4.14
Rot. Bonds5

About (4E)-4-ethenyl-3-phenylhepta-1,4,6-trien-2-ol

(4E)-4-ethenyl-3-phenylhepta-1,4,6-trien-2-ol (PubChem CID 142139727) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is (4E)-4-ethenyl-3-phenylhepta-1,4,6-trien-2-ol.

Molecular Properties

Compound Name(4E)-4-ethenyl-3-phenylhepta-1,4,6-trien-2-ol
PubChem CID142139727
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name(4E)-4-ethenyl-3-phenylhepta-1,4,6-trien-2-ol
SMILESC=C/C=C(\C=C)C(C(=C)O)c1ccccc1
InChIInChI=1S/C15H16O/c1-4-9-13(5-2)15(12(3)16)14-10-7-6-8-11-14/h4-11,15-16H,1-3H2/b13-9+
InChIKeyGQACXSNWNSAPOR-UKTHLTGXSA-N
XLogP4.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 54.14
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

(4E)-1-chloro-4-ethenyl-3-phenylhepta-4,6-dien-2-one
CID 145368331
ethane;[(3E)-3-ethenylhexa-3,5-dien-2-yl]benzene;methane
CID 177324817
1-chloro-2-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]benzene
CID 134482693
ethane;[(5E)-5-ethenylocta-5,7-dien-4-yl]benzene;methane
CID 142240938
(3,6-dimethylidene-5-phenylocta-1,7-dien-4-yl)benzene
CID 144915065
ethane;[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene
CID 143204941
[(3E,7E)-4,7-bis[(Z)-prop-1-enyl]-6-[(1E)-1-[(Z)-prop-1-enyl]buta-1,3-dienyl]deca-1,3,7,9-tetraen-5-yl]benzene
CID 144915039
(4Z)-4-ethenyl-1-phenylhepta-4,6-dien-1-ol
CID 142924342
[(1R,2S)-1-ethenyl-2-phenylbut-3-enyl]benzene
CID 12573330
N-[(2E)-2-ethenyl-1-(2-methylhydrazinyl)penta-2,4-dienyl]aniline
CID 144964111
[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl] 2-tert-butyl-4-methylpentanoate
CID 144703641
1-phenylethyl prop-2-enoate
CID 175321764

Frequently Asked Questions

What is the IUPAC name of (4E)-4-ethenyl-3-phenylhepta-1,4,6-trien-2-ol?
The IUPAC name of (4E)-4-ethenyl-3-phenylhepta-1,4,6-trien-2-ol (CID 142139727) is (4E)-4-ethenyl-3-phenylhepta-1,4,6-trien-2-ol.
What is the SMILES notation for (4E)-4-ethenyl-3-phenylhepta-1,4,6-trien-2-ol?
The canonical SMILES for (4E)-4-ethenyl-3-phenylhepta-1,4,6-trien-2-ol is C=C/C=C(\C=C)C(C(=C)O)c1ccccc1.
What is the InChIKey of (4E)-4-ethenyl-3-phenylhepta-1,4,6-trien-2-ol?
The InChIKey is GQACXSNWNSAPOR-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H16O/c1-4-9-13(5-2)15(12(3)16)14-10-7-6-8-11-14/h4-11,15-16H,1-3H2/b13-9+.
What are the key properties of (4E)-4-ethenyl-3-phenylhepta-1,4,6-trien-2-ol?
(4E)-4-ethenyl-3-phenylhepta-1,4,6-trien-2-ol has a molecular weight of 212.29 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-ethenyl-3-phenylhepta-1,4,6-trien-2-ol is sourced from PubChem (CID 142139727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).