(3Z)-5-[(4-ethenylcyclohexyl)methoxy]-3,4-difluorohexa-1,3,5-trien-2-ol

C15H20F2O2 — CID 126727582

IUPAC(3Z)-5-[(4-ethenylcyclohexyl)methoxy]-3,4-difluorohexa-1,3,5-trien-2-ol
SMILESC=CC1CCC(COC(=C)/C(F)=C(/F)C(=C)O)CC1
InChIInChI=1S/C15H20F2O2/c1-4-12-5-7-13(8-6-12)9-19-11(3)15(17)14(16)10(2)18/h4,12-13,18H,1-3,5-9H2/b15-14-
InChIKeyBAEWVZANGBOLAB-PFONDFGASA-N
MW270.32 g/mol
LogP4.73
Rot. Bonds6

About (3Z)-5-[(4-ethenylcyclohexyl)methoxy]-3,4-difluorohexa-1,3,5-trien-2-ol

(3Z)-5-[(4-ethenylcyclohexyl)methoxy]-3,4-difluorohexa-1,3,5-trien-2-ol (PubChem CID 126727582) has the molecular formula C15H20F2O2 and a molecular weight of 270.32 g/mol. Its IUPAC name is (3Z)-5-[(4-ethenylcyclohexyl)methoxy]-3,4-difluorohexa-1,3,5-trien-2-ol.

Molecular Properties

Compound Name(3Z)-5-[(4-ethenylcyclohexyl)methoxy]-3,4-difluorohexa-1,3,5-trien-2-ol
PubChem CID126727582
Molecular FormulaC15H20F2O2
Molecular Weight270.32 g/mol
Exact Mass270.14
IUPAC Name(3Z)-5-[(4-ethenylcyclohexyl)methoxy]-3,4-difluorohexa-1,3,5-trien-2-ol
SMILESC=CC1CCC(COC(=C)/C(F)=C(/F)C(=C)O)CC1
InChIInChI=1S/C15H20F2O2/c1-4-12-5-7-13(8-6-12)9-19-11(3)15(17)14(16)10(2)18/h4,12-13,18H,1-3,5-9H2/b15-14-
InChIKeyBAEWVZANGBOLAB-PFONDFGASA-N
XLogP4.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(1Z,3Z,5Z)-5-[(4-cyclohexylcyclohexyl)methoxy]-1,6-difluorohexa-1,3,5-trien-2-ol
CID 126626706
(1E,3E,5Z)-4-(cyclohexylmethoxy)-5,6-difluorohexa-1,3,5-trien-1-ol
CID 126626802
1-ethenyl-4-[[(1Z,3Z,5Z)-5-ethoxy-1,6-difluorohexa-1,3,5-trien-2-yl]oxymethyl]cyclohexane
CID 126727546
(3Z)-5-(cyclohexylmethoxy)-3,4-difluorohexa-1,3,5-trien-2-ol
CID 126727548
1-ethenyl-4-[[(1E,3E,5Z)-4-ethoxy-5,6-difluorohexa-1,3,5-trienoxy]methyl]cyclohexane
CID 126727553
(3Z)-3,4-difluoro-5-[[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]hexa-1,3,5-trien-2-ol
CID 142342617
(3Z)-3,4-difluoro-5-[[4-[(E)-pent-3-enyl]cyclohexyl]methoxy]hexa-1,3,5-trien-2-ol
CID 143243680
1-ethenyl-4-[[(3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-yl]oxymethyl]cyclohexane
CID 143243684
1-[[(3Z)-5-butoxy-3,4-difluorohexa-1,3,5-trien-2-yl]oxymethyl]-4-ethenylcyclohexane
CID 143243697
1-[[(3Z)-3,4-difluoro-5-prop-2-enoxyhexa-1,3,5-trien-2-yl]oxymethyl]-4-methylcyclohexane
CID 143286439
1-[[(3E,7Z,11Z)-13-ethoxy-3,11,12-trifluoro-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-2-yl]oxymethyl]-4-methylcyclohexane
CID 143772705
1-[[(3E,7Z,11Z)-13-ethoxy-4,11,12-trifluoro-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-2-yl]oxymethyl]-4-methylcyclohexane
CID 143773146

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-[(4-ethenylcyclohexyl)methoxy]-3,4-difluorohexa-1,3,5-trien-2-ol?
The IUPAC name of (3Z)-5-[(4-ethenylcyclohexyl)methoxy]-3,4-difluorohexa-1,3,5-trien-2-ol (CID 126727582) is (3Z)-5-[(4-ethenylcyclohexyl)methoxy]-3,4-difluorohexa-1,3,5-trien-2-ol.
What is the SMILES notation for (3Z)-5-[(4-ethenylcyclohexyl)methoxy]-3,4-difluorohexa-1,3,5-trien-2-ol?
The canonical SMILES for (3Z)-5-[(4-ethenylcyclohexyl)methoxy]-3,4-difluorohexa-1,3,5-trien-2-ol is C=CC1CCC(COC(=C)/C(F)=C(/F)C(=C)O)CC1.
What is the InChIKey of (3Z)-5-[(4-ethenylcyclohexyl)methoxy]-3,4-difluorohexa-1,3,5-trien-2-ol?
The InChIKey is BAEWVZANGBOLAB-PFONDFGASA-N. The full InChI is InChI=1S/C15H20F2O2/c1-4-12-5-7-13(8-6-12)9-19-11(3)15(17)14(16)10(2)18/h4,12-13,18H,1-3,5-9H2/b15-14-.
What are the key properties of (3Z)-5-[(4-ethenylcyclohexyl)methoxy]-3,4-difluorohexa-1,3,5-trien-2-ol?
(3Z)-5-[(4-ethenylcyclohexyl)methoxy]-3,4-difluorohexa-1,3,5-trien-2-ol has a molecular weight of 270.32 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-[(4-ethenylcyclohexyl)methoxy]-3,4-difluorohexa-1,3,5-trien-2-ol is sourced from PubChem (CID 126727582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).