(3Z)-3,4-difluoro-5-(4-propylcyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-ol

C15H18F2O — CID 142363335

IUPAC(3Z)-3,4-difluoro-5-(4-propylcyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-ol
SMILESC=C(O)/C(F)=C(/F)C(=C)C1=CC=C(CCC)CC1
InChIInChI=1S/C15H18F2O/c1-4-5-12-6-8-13(9-7-12)10(2)14(16)15(17)11(3)18/h6,8,18H,2-5,7,9H2,1H3/b15-14-
InChIKeyGGRSTNDVPQBKNW-PFONDFGASA-N
MW252.30 g/mol
LogP5.21
Rot. Bonds5

About (3Z)-3,4-difluoro-5-(4-propylcyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-ol

(3Z)-3,4-difluoro-5-(4-propylcyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-ol (PubChem CID 142363335) has the molecular formula C15H18F2O and a molecular weight of 252.30 g/mol. Its IUPAC name is (3Z)-3,4-difluoro-5-(4-propylcyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-ol.

Molecular Properties

Compound Name(3Z)-3,4-difluoro-5-(4-propylcyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-ol
PubChem CID142363335
Molecular FormulaC15H18F2O
Molecular Weight252.30 g/mol
Exact Mass252.13
IUPAC Name(3Z)-3,4-difluoro-5-(4-propylcyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-ol
SMILESC=C(O)/C(F)=C(/F)C(=C)C1=CC=C(CCC)CC1
InChIInChI=1S/C15H18F2O/c1-4-5-12-6-8-13(9-7-12)10(2)14(16)15(17)11(3)18/h6,8,18H,2-5,7,9H2,1H3/b15-14-
InChIKeyGGRSTNDVPQBKNW-PFONDFGASA-N
XLogP5.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.30
LogP ≤ 55.21
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

(Z)-4-(cyclohexen-1-yl)-2-methylbut-3-en-2-ol
CID 101700234
(3Z)-3,4-difluoro-6,9-dimethyl-5-methylideneundeca-1,3-dien-2-ol
CID 144733838
(3Z)-3,4-difluoro-6-methyl-5-methylidenedeca-1,3-dien-2-ol
CID 145079834
(3E,7E)-9-cyclohexa-1,3-dien-1-yl-3,7-difluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-ol
CID 145126370
(3E)-5-cyclohexa-1,3-dien-1-yl-4-fluorohexa-1,3,5-trien-2-ol
CID 145126395
(3Z)-5-(2,3-difluorocyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-ol
CID 145173381
(3E,7E)-3,7-difluoro-9-(4-methylcyclohexa-1,3-dien-1-yl)-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-ol
CID 145298562
(3E)-4-fluoro-5-(4-methylcyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-ol
CID 145298570
(3E,7E,11Z)-4,8-difluoro-5,6,9,10,13-pentamethylidenehexadeca-1,3,7,11-tetraen-2-ol
CID 145464270
2-Ethyl-5-fluorocyclohexa-1,5-dien-1-ol
CID 145551367
5-(1,1-Difluoroethyl)cyclohexa-1,5-dien-1-ol
CID 147264618
(3Z)-5-cyclohexyl-3,4-difluorohexa-1,3,5-trien-2-ol
CID 156558712

Frequently Asked Questions

What is the IUPAC name of (3Z)-3,4-difluoro-5-(4-propylcyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-ol?
The IUPAC name of (3Z)-3,4-difluoro-5-(4-propylcyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-ol (CID 142363335) is (3Z)-3,4-difluoro-5-(4-propylcyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-ol.
What is the SMILES notation for (3Z)-3,4-difluoro-5-(4-propylcyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-ol?
The canonical SMILES for (3Z)-3,4-difluoro-5-(4-propylcyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-ol is C=C(O)/C(F)=C(/F)C(=C)C1=CC=C(CCC)CC1.
What is the InChIKey of (3Z)-3,4-difluoro-5-(4-propylcyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-ol?
The InChIKey is GGRSTNDVPQBKNW-PFONDFGASA-N. The full InChI is InChI=1S/C15H18F2O/c1-4-5-12-6-8-13(9-7-12)10(2)14(16)15(17)11(3)18/h6,8,18H,2-5,7,9H2,1H3/b15-14-.
What are the key properties of (3Z)-3,4-difluoro-5-(4-propylcyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-ol?
(3Z)-3,4-difluoro-5-(4-propylcyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-ol has a molecular weight of 252.30 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3,4-difluoro-5-(4-propylcyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-ol is sourced from PubChem (CID 142363335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).