(3E,5E)-6-(4-methoxyphenyl)hexa-1,3,5-trien-2-ol

C13H14O2 — CID 89171740

IUPAC(3E,5E)-6-(4-methoxyphenyl)hexa-1,3,5-trien-2-ol
SMILESC=C(O)/C=C/C=C/c1ccc(OC)cc1
InChIInChI=1S/C13H14O2/c1-11(14)5-3-4-6-12-7-9-13(15-2)10-8-12/h3-10,14H,1H2,2H3/b5-3+,6-4+
InChIKeyYIVIGIZUEGDHOW-GGWOSOGESA-N
MW202.25 g/mol
LogP3.34
Rot. Bonds4

About (3E,5E)-6-(4-methoxyphenyl)hexa-1,3,5-trien-2-ol

(3E,5E)-6-(4-methoxyphenyl)hexa-1,3,5-trien-2-ol (PubChem CID 89171740) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is (3E,5E)-6-(4-methoxyphenyl)hexa-1,3,5-trien-2-ol.

Molecular Properties

Compound Name(3E,5E)-6-(4-methoxyphenyl)hexa-1,3,5-trien-2-ol
PubChem CID89171740
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name(3E,5E)-6-(4-methoxyphenyl)hexa-1,3,5-trien-2-ol
SMILESC=C(O)/C=C/C=C/c1ccc(OC)cc1
InChIInChI=1S/C13H14O2/c1-11(14)5-3-4-6-12-7-9-13(15-2)10-8-12/h3-10,14H,1H2,2H3/b5-3+,6-4+
InChIKeyYIVIGIZUEGDHOW-GGWOSOGESA-N
XLogP3.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene
CID 4560156
(2E,4E)-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one
CID 10539553
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
1-[(1E,3E)-4-chlorobuta-1,3-dienyl]-4-methoxybenzene
CID 101396307
(2E,4E)-5-(4-methoxyphenyl)penta-2,4-dien-1-ol
CID 2253109
(2E,4E)-N-hydroxy-5-[4-(4-methoxyphenyl)phenyl]penta-2,4-dienamide
CID 42631047
1,2-bis[(1E)-4-(4-methoxyphenyl)buta-1,3-dienyl]benzene
CID 53491376
1-methoxy-4-[(1E)-4-methylpenta-1,3-dienyl]benzene
CID 10965272
CID 69129935
CID 69129935
azane;3-(4-methoxyphenyl)prop-2-enoic acid
CID 69170701
(2E,4E)-5-(4-chlorophenyl)-1-(4-methoxyphenyl)penta-2,4-dien-1-one
CID 127040918
5-(4-chlorophenyl)-1-(4-methoxyphenyl)penta-2,4-dien-1-one
CID 71384226

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-6-(4-methoxyphenyl)hexa-1,3,5-trien-2-ol?
The IUPAC name of (3E,5E)-6-(4-methoxyphenyl)hexa-1,3,5-trien-2-ol (CID 89171740) is (3E,5E)-6-(4-methoxyphenyl)hexa-1,3,5-trien-2-ol.
What is the SMILES notation for (3E,5E)-6-(4-methoxyphenyl)hexa-1,3,5-trien-2-ol?
The canonical SMILES for (3E,5E)-6-(4-methoxyphenyl)hexa-1,3,5-trien-2-ol is C=C(O)/C=C/C=C/c1ccc(OC)cc1.
What is the InChIKey of (3E,5E)-6-(4-methoxyphenyl)hexa-1,3,5-trien-2-ol?
The InChIKey is YIVIGIZUEGDHOW-GGWOSOGESA-N. The full InChI is InChI=1S/C13H14O2/c1-11(14)5-3-4-6-12-7-9-13(15-2)10-8-12/h3-10,14H,1H2,2H3/b5-3+,6-4+.
What are the key properties of (3E,5E)-6-(4-methoxyphenyl)hexa-1,3,5-trien-2-ol?
(3E,5E)-6-(4-methoxyphenyl)hexa-1,3,5-trien-2-ol has a molecular weight of 202.25 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-6-(4-methoxyphenyl)hexa-1,3,5-trien-2-ol is sourced from PubChem (CID 89171740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).