ethane;(3E)-3-phenoxyhexa-1,3,5-trien-2-ol

C14H18O2 — CID 143422244

IUPACethane;(3E)-3-phenoxyhexa-1,3,5-trien-2-ol
SMILESC=C/C=C(/Oc1ccccc1)C(=C)O.CC
InChIInChI=1S/C12H12O2.C2H6/c1-3-7-12(10(2)13)14-11-8-5-4-6-9-11;1-2/h3-9,13H,1-2H2;1-2H3/b12-7+;
InChIKeyXIUKHHRNLRFLTO-RRAJOLSVSA-N
MW218.30 g/mol
LogP4.23
Rot. Bonds4

About ethane;(3E)-3-phenoxyhexa-1,3,5-trien-2-ol

ethane;(3E)-3-phenoxyhexa-1,3,5-trien-2-ol (PubChem CID 143422244) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is ethane;(3E)-3-phenoxyhexa-1,3,5-trien-2-ol.

Molecular Properties

Compound Nameethane;(3E)-3-phenoxyhexa-1,3,5-trien-2-ol
PubChem CID143422244
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Nameethane;(3E)-3-phenoxyhexa-1,3,5-trien-2-ol
SMILESC=C/C=C(/Oc1ccccc1)C(=C)O.CC
InChIInChI=1S/C12H12O2.C2H6/c1-3-7-12(10(2)13)14-11-8-5-4-6-9-11;1-2/h3-9,13H,1-2H2;1-2H3/b12-7+;
InChIKeyXIUKHHRNLRFLTO-RRAJOLSVSA-N
XLogP4.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 54.23
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

ethane;[(2E,4Z)-hepta-2,4,6-trien-2-yl]oxybenzene
CID 143117952
[(3E)-hepta-1,3,5-trien-4-yl]oxybenzene
CID 142809122
buta-1,3-diene;diphenyl carbonate
CID 87173366
1-methoxyethenoxybenzene
CID 57063667
diphenyl 2-but-3-en-2-ylpropanedioate
CID 171777600
diphenyl oxalate;ethane
CID 162013592
(E)-1-phenoxyprop-1-en-1-ol
CID 21243991
phenyl carbamate;prop-1-ene
CID 158313196
methanol;3-methylbuta-1,3-dien-2-yloxybenzene
CID 157443112
phenyl 2-methylprop-2-enoate;phenyl prop-2-enoate
CID 20561455
oxirane;phenyl prop-2-enoate
CID 87443709
phenyl 2-methylprop-2-enoate;styrene
CID 22227486

Frequently Asked Questions

What is the IUPAC name of ethane;(3E)-3-phenoxyhexa-1,3,5-trien-2-ol?
The IUPAC name of ethane;(3E)-3-phenoxyhexa-1,3,5-trien-2-ol (CID 143422244) is ethane;(3E)-3-phenoxyhexa-1,3,5-trien-2-ol.
What is the SMILES notation for ethane;(3E)-3-phenoxyhexa-1,3,5-trien-2-ol?
The canonical SMILES for ethane;(3E)-3-phenoxyhexa-1,3,5-trien-2-ol is C=C/C=C(/Oc1ccccc1)C(=C)O.CC.
What is the InChIKey of ethane;(3E)-3-phenoxyhexa-1,3,5-trien-2-ol?
The InChIKey is XIUKHHRNLRFLTO-RRAJOLSVSA-N. The full InChI is InChI=1S/C12H12O2.C2H6/c1-3-7-12(10(2)13)14-11-8-5-4-6-9-11;1-2/h3-9,13H,1-2H2;1-2H3/b12-7+;.
What are the key properties of ethane;(3E)-3-phenoxyhexa-1,3,5-trien-2-ol?
ethane;(3E)-3-phenoxyhexa-1,3,5-trien-2-ol has a molecular weight of 218.30 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E)-3-phenoxyhexa-1,3,5-trien-2-ol is sourced from PubChem (CID 143422244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).