(2E,4E)-6-[4-(4-fluorophenyl)cyclohexyl]hexa-2,4-dienoic acid

C18H21FO2 — CID 18689105

IUPAC(2E,4E)-6-[4-(4-fluorophenyl)cyclohexyl]hexa-2,4-dienoic acid
SMILESO=C(O)/C=C/C=C/CC1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H21FO2/c19-17-12-10-16(11-13-17)15-8-6-14(7-9-15)4-2-1-3-5-18(20)21/h1-3,5,10-15H,4,6-9H2,(H,20,21)/b2-1+,5-3+
InChIKeyRIURWVJDBUVCDI-NRNIAZNESA-N
MW288.36 g/mol
LogP4.69
Rot. Bonds5

About (2E,4E)-6-[4-(4-fluorophenyl)cyclohexyl]hexa-2,4-dienoic acid

(2E,4E)-6-[4-(4-fluorophenyl)cyclohexyl]hexa-2,4-dienoic acid (PubChem CID 18689105) has the molecular formula C18H21FO2 and a molecular weight of 288.36 g/mol. Its IUPAC name is (2E,4E)-6-[4-(4-fluorophenyl)cyclohexyl]hexa-2,4-dienoic acid.

Molecular Properties

Compound Name(2E,4E)-6-[4-(4-fluorophenyl)cyclohexyl]hexa-2,4-dienoic acid
PubChem CID18689105
Molecular FormulaC18H21FO2
Molecular Weight288.36 g/mol
Exact Mass288.15
IUPAC Name(2E,4E)-6-[4-(4-fluorophenyl)cyclohexyl]hexa-2,4-dienoic acid
SMILESO=C(O)/C=C/C=C/CC1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H21FO2/c19-17-12-10-16(11-13-17)15-8-6-14(7-9-15)4-2-1-3-5-18(20)21/h1-3,5,10-15H,4,6-9H2,(H,20,21)/b2-1+,5-3+
InChIKeyRIURWVJDBUVCDI-NRNIAZNESA-N
XLogP4.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E)-4-[4-(4-cyanophenyl)cyclohexyl]but-2-enoic acid
CID 67642976
(E)-4-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]but-2-enoic acid
CID 67844168
(E)-4-[4-(4-propylphenyl)cyclohexyl]but-2-enoic acid
CID 67642965
(E)-4-[4-[4-(4-cyanophenyl)cyclohexyl]cyclohexyl]but-2-enoic acid
CID 67642810
1-fluoro-4-[4-(4-fluorophenyl)cyclohexyl]benzene
CID 122631633
1-[4-(bromomethyl)cyclohexyl]-4-fluorobenzene
CID 177244995
1-fluoro-4-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]benzene
CID 19798819
carbonic acid;1-cyclohexyl-4-(4-prop-2-enylcyclohexyl)benzene
CID 70500891
1-[4-(4-fluorophenyl)cyclohexyl]ethanone
CID 15047101
(2E,4E)-7-[4-[2-[4-(4-fluorophenyl)cyclohexyl]ethyl]cyclohexyl]hepta-2,4-dienenitrile
CID 19613894
1-fluoro-4-(4-hexa-1,3-dienylcyclohexyl)benzene
CID 54500656
(E)-5-[4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexyl]pent-2-enoic acid
CID 67643873

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-6-[4-(4-fluorophenyl)cyclohexyl]hexa-2,4-dienoic acid?
The IUPAC name of (2E,4E)-6-[4-(4-fluorophenyl)cyclohexyl]hexa-2,4-dienoic acid (CID 18689105) is (2E,4E)-6-[4-(4-fluorophenyl)cyclohexyl]hexa-2,4-dienoic acid.
What is the SMILES notation for (2E,4E)-6-[4-(4-fluorophenyl)cyclohexyl]hexa-2,4-dienoic acid?
The canonical SMILES for (2E,4E)-6-[4-(4-fluorophenyl)cyclohexyl]hexa-2,4-dienoic acid is O=C(O)/C=C/C=C/CC1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of (2E,4E)-6-[4-(4-fluorophenyl)cyclohexyl]hexa-2,4-dienoic acid?
The InChIKey is RIURWVJDBUVCDI-NRNIAZNESA-N. The full InChI is InChI=1S/C18H21FO2/c19-17-12-10-16(11-13-17)15-8-6-14(7-9-15)4-2-1-3-5-18(20)21/h1-3,5,10-15H,4,6-9H2,(H,20,21)/b2-1+,5-3+.
What are the key properties of (2E,4E)-6-[4-(4-fluorophenyl)cyclohexyl]hexa-2,4-dienoic acid?
(2E,4E)-6-[4-(4-fluorophenyl)cyclohexyl]hexa-2,4-dienoic acid has a molecular weight of 288.36 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-6-[4-(4-fluorophenyl)cyclohexyl]hexa-2,4-dienoic acid is sourced from PubChem (CID 18689105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).