2,3-difluoro-4-[4-(4-prop-2-enylcyclohexyl)cyclohexen-1-yl]phenol

C21H26F2O — CID 89203839

IUPAC2,3-difluoro-4-[4-(4-prop-2-enylcyclohexyl)cyclohexen-1-yl]phenol
SMILESC=CCC1CCC(C2CC=C(c3ccc(O)c(F)c3F)CC2)CC1
InChIInChI=1S/C21H26F2O/c1-2-3-14-4-6-15(7-5-14)16-8-10-17(11-9-16)18-12-13-19(24)21(23)20(18)22/h2,10,12-16,24H,1,3-9,11H2
InChIKeyLHQHPZBCTSSRRY-UHFFFAOYSA-N
MW332.43 g/mol
LogP6.24
Rot. Bonds4

About 2,3-difluoro-4-[4-(4-prop-2-enylcyclohexyl)cyclohexen-1-yl]phenol

2,3-difluoro-4-[4-(4-prop-2-enylcyclohexyl)cyclohexen-1-yl]phenol (PubChem CID 89203839) has the molecular formula C21H26F2O and a molecular weight of 332.43 g/mol. Its IUPAC name is 2,3-difluoro-4-[4-(4-prop-2-enylcyclohexyl)cyclohexen-1-yl]phenol.

Molecular Properties

Compound Name2,3-difluoro-4-[4-(4-prop-2-enylcyclohexyl)cyclohexen-1-yl]phenol
PubChem CID89203839
Molecular FormulaC21H26F2O
Molecular Weight332.43 g/mol
Exact Mass332.20
IUPAC Name2,3-difluoro-4-[4-(4-prop-2-enylcyclohexyl)cyclohexen-1-yl]phenol
SMILESC=CCC1CCC(C2CC=C(c3ccc(O)c(F)c3F)CC2)CC1
InChIInChI=1S/C21H26F2O/c1-2-3-14-4-6-15(7-5-14)16-8-10-17(11-9-16)18-12-13-19(24)21(23)20(18)22/h2,10,12-16,24H,1,3-9,11H2
InChIKeyLHQHPZBCTSSRRY-UHFFFAOYSA-N
XLogP6.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.43
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(4-but-3-enylcyclohexyl)cyclohexen-1-yl]-2,3-difluorophenol
CID 89203747
1,4-bis[4-(4-prop-2-enylcyclohexyl)cyclohexen-1-yl]benzene
CID 173416619
2,3-difluoro-4-(4-hex-5-enylcyclohexen-1-yl)phenol
CID 89203745
2-[4-[4-[2,3-difluoro-4-(oxiran-2-yl)phenyl]cyclohex-3-en-1-yl]cyclohexyl]acetaldehyde
CID 89203743
1-ethenyl-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
CID 22465782
1-[4-[4-(cyclopropylmethyl)cyclohexyl]cyclohexen-1-yl]-2,3-difluoro-4-methylbenzene
CID 159834105
3-chloro-2-fluoro-4-[4-(4-iodocyclohexyl)cyclohexen-1-yl]phenol
CID 163721502
1-[4-(4-cyclopentylcyclohexyl)cyclohexen-1-yl]-4-ethenoxy-2,3-difluorobenzene
CID 170065989
2-[4-[4-(4-but-3-enylcyclohexyl)cyclohexen-1-yl]-2-chloro-3-fluorophenyl]oxirane
CID 89077035
1-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-4-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)phenyl]-2,3-difluorobenzene
CID 67740145
2,3-difluoro-1-[4-[4-(4-hex-3-enylcyclohexyl)cyclohexyl]cyclohexen-1-yl]-4-methylbenzene
CID 76631882
1-[4-[4-[4-(4-but-3-enylcyclohexyl)cyclohexen-1-yl]-3-fluorophenyl]phenyl]-2,3-difluoro-4-methylbenzene
CID 67739727

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-[4-(4-prop-2-enylcyclohexyl)cyclohexen-1-yl]phenol?
The IUPAC name of 2,3-difluoro-4-[4-(4-prop-2-enylcyclohexyl)cyclohexen-1-yl]phenol (CID 89203839) is 2,3-difluoro-4-[4-(4-prop-2-enylcyclohexyl)cyclohexen-1-yl]phenol.
What is the SMILES notation for 2,3-difluoro-4-[4-(4-prop-2-enylcyclohexyl)cyclohexen-1-yl]phenol?
The canonical SMILES for 2,3-difluoro-4-[4-(4-prop-2-enylcyclohexyl)cyclohexen-1-yl]phenol is C=CCC1CCC(C2CC=C(c3ccc(O)c(F)c3F)CC2)CC1.
What is the InChIKey of 2,3-difluoro-4-[4-(4-prop-2-enylcyclohexyl)cyclohexen-1-yl]phenol?
The InChIKey is LHQHPZBCTSSRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2O/c1-2-3-14-4-6-15(7-5-14)16-8-10-17(11-9-16)18-12-13-19(24)21(23)20(18)22/h2,10,12-16,24H,1,3-9,11H2.
What are the key properties of 2,3-difluoro-4-[4-(4-prop-2-enylcyclohexyl)cyclohexen-1-yl]phenol?
2,3-difluoro-4-[4-(4-prop-2-enylcyclohexyl)cyclohexen-1-yl]phenol has a molecular weight of 332.43 g/mol, XLogP of 6.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-[4-(4-prop-2-enylcyclohexyl)cyclohexen-1-yl]phenol is sourced from PubChem (CID 89203839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).