(2E,3Z)-2-ethylidene-1-phenylhexa-3,5-dien-1-ol

C14H16O — CID 134199726

IUPAC(2E,3Z)-2-ethylidene-1-phenylhexa-3,5-dien-1-ol
SMILESC=C/C=C\C(=C/C)C(O)c1ccccc1
InChIInChI=1S/C14H16O/c1-3-5-9-12(4-2)14(15)13-10-7-6-8-11-13/h3-11,14-15H,1H2,2H3/b9-5-,12-4+
InChIKeyIZSPPHVYKMLFJQ-WQPWRAGBSA-N
MW200.28 g/mol
LogP3.41
Rot. Bonds4

About (2E,3Z)-2-ethylidene-1-phenylhexa-3,5-dien-1-ol

(2E,3Z)-2-ethylidene-1-phenylhexa-3,5-dien-1-ol (PubChem CID 134199726) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is (2E,3Z)-2-ethylidene-1-phenylhexa-3,5-dien-1-ol.

Molecular Properties

Compound Name(2E,3Z)-2-ethylidene-1-phenylhexa-3,5-dien-1-ol
PubChem CID134199726
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name(2E,3Z)-2-ethylidene-1-phenylhexa-3,5-dien-1-ol
SMILESC=C/C=C\C(=C/C)C(O)c1ccccc1
InChIInChI=1S/C14H16O/c1-3-5-9-12(4-2)14(15)13-10-7-6-8-11-13/h3-11,14-15H,1H2,2H3/b9-5-,12-4+
InChIKeyIZSPPHVYKMLFJQ-WQPWRAGBSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E,5Z)-4-[hydroxy(phenyl)methyl]octa-3,5,7-trienal
CID 89222278
3-ethylidenehepta-4,6-dien-2-ylbenzene
CID 123397976
[(2Z,4Z)-3-propan-2-ylhepta-2,4,6-trienoxy]benzene
CID 142029471
[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene
CID 12628363
(3E,4Z)-3-ethylidene-2-hydroxyhepta-4,6-dienoic acid
CID 142066465
(E,1R)-1,2-diphenylbut-2-en-1-ol
CID 135000774
ethane;[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene
CID 143204941
ethane;methane;(3Z,5Z)-5-propan-2-ylhepta-1,3,5-triene
CID 144723819
[(1E,3Z)-2-methylhexa-1,3,5-trienyl]benzene
CID 143291688
[(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
[(2E,4Z)-hepta-2,4,6-trien-3-yl]-dimethyl-phenylsilane
CID 174010632
benzene;1-phenylprop-2-en-1-ol
CID 174884403

Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-2-ethylidene-1-phenylhexa-3,5-dien-1-ol?
The IUPAC name of (2E,3Z)-2-ethylidene-1-phenylhexa-3,5-dien-1-ol (CID 134199726) is (2E,3Z)-2-ethylidene-1-phenylhexa-3,5-dien-1-ol.
What is the SMILES notation for (2E,3Z)-2-ethylidene-1-phenylhexa-3,5-dien-1-ol?
The canonical SMILES for (2E,3Z)-2-ethylidene-1-phenylhexa-3,5-dien-1-ol is C=C/C=C\C(=C/C)C(O)c1ccccc1.
What is the InChIKey of (2E,3Z)-2-ethylidene-1-phenylhexa-3,5-dien-1-ol?
The InChIKey is IZSPPHVYKMLFJQ-WQPWRAGBSA-N. The full InChI is InChI=1S/C14H16O/c1-3-5-9-12(4-2)14(15)13-10-7-6-8-11-13/h3-11,14-15H,1H2,2H3/b9-5-,12-4+.
What are the key properties of (2E,3Z)-2-ethylidene-1-phenylhexa-3,5-dien-1-ol?
(2E,3Z)-2-ethylidene-1-phenylhexa-3,5-dien-1-ol has a molecular weight of 200.28 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 (2E,3Z)-2-ethylidene-1-phenylhexa-3,5-dien-1-ol is sourced from PubChem (CID 134199726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).