2-fluoro-4-[2-[4-[(4-prop-1-en-2-ylcyclohexyl)methyl]phenyl]ethynyl]phenol

C24H25FO — CID 20724154

IUPAC2-fluoro-4-[2-[4-[(4-prop-1-en-2-ylcyclohexyl)methyl]phenyl]ethynyl]phenol
SMILESC=C(C)C1CCC(Cc2ccc(C#Cc3ccc(O)c(F)c3)cc2)CC1
InChIInChI=1S/C24H25FO/c1-17(2)22-12-9-20(10-13-22)15-19-6-3-18(4-7-19)5-8-21-11-14-24(26)23(25)16-21/h3-4,6-7,11,14,16,20,22,26H,1,9-10,12-13,15H2,2H3
InChIKeyRUWHOVNENDNBDF-UHFFFAOYSA-N
MW348.46 g/mol
LogP5.86
Rot. Bonds3

About 2-fluoro-4-[2-[4-[(4-prop-1-en-2-ylcyclohexyl)methyl]phenyl]ethynyl]phenol

2-fluoro-4-[2-[4-[(4-prop-1-en-2-ylcyclohexyl)methyl]phenyl]ethynyl]phenol (PubChem CID 20724154) has the molecular formula C24H25FO and a molecular weight of 348.46 g/mol. Its IUPAC name is 2-fluoro-4-[2-[4-[(4-prop-1-en-2-ylcyclohexyl)methyl]phenyl]ethynyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[2-[4-[(4-prop-1-en-2-ylcyclohexyl)methyl]phenyl]ethynyl]phenol
PubChem CID20724154
Molecular FormulaC24H25FO
Molecular Weight348.46 g/mol
Exact Mass348.19
IUPAC Name2-fluoro-4-[2-[4-[(4-prop-1-en-2-ylcyclohexyl)methyl]phenyl]ethynyl]phenol
SMILESC=C(C)C1CCC(Cc2ccc(C#Cc3ccc(O)c(F)c3)cc2)CC1
InChIInChI=1S/C24H25FO/c1-17(2)22-12-9-20(10-13-22)15-19-6-3-18(4-7-19)5-8-21-11-14-24(26)23(25)16-21/h3-4,6-7,11,14,16,20,22,26H,1,9-10,12-13,15H2,2H3
InChIKeyRUWHOVNENDNBDF-UHFFFAOYSA-N
XLogP5.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.46
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-ethylphenyl)ethynyl]-2-fluorophenol
CID 170842246
5-[2-[4-[2-[4-(cyclopropylmethyl)phenyl]ethynyl]phenyl]ethynyl]-1,3-difluoro-2-(2-isothiocyanatoethynyl)benzene
CID 176768016
2-[2-[4-[2-(3-fluoro-4-methylphenyl)ethynyl]phenyl]ethynyl]-1,3-dimethyl-5-[(4-methylcyclohexyl)methyl]benzene
CID 21359913
2-[4-[2-[4-(cyclopropylmethyl)phenyl]ethynyl]phenyl]-1,3-difluoro-5-isothiocyanatobenzene
CID 163272964
2-fluoro-4-(2-methylprop-2-enyl)phenol
CID 142516267
2-fluoro-4-[2-(4-heptoxyphenyl)ethynyl]phenol
CID 58721263
5-[2-[4-[2-[2-fluoro-4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]phenyl]ethynyl]-1,2,3-trimethylbenzene
CID 21360213
4-[[4-[(4-hydroxyphenyl)methyl]cyclohexyl]methyl]phenol
CID 86168962
4-[2-[4-(2-cyclopentylethyl)phenyl]ethynyl]-1,2-difluorobenzene
CID 67685961
5-(cyclopropylmethyl)-2-methoxyphenol
CID 115015182
methyl 4-[(3-cyano-4-fluorophenyl)methyl]cyclohexane-1-carboxylate
CID 172582169
4-[2-(4-ethylphenyl)ethynyl]-2-fluoro-1-(4-propylcyclohexyl)oxybenzene;formaldehyde
CID 158807191

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[2-[4-[(4-prop-1-en-2-ylcyclohexyl)methyl]phenyl]ethynyl]phenol?
The IUPAC name of 2-fluoro-4-[2-[4-[(4-prop-1-en-2-ylcyclohexyl)methyl]phenyl]ethynyl]phenol (CID 20724154) is 2-fluoro-4-[2-[4-[(4-prop-1-en-2-ylcyclohexyl)methyl]phenyl]ethynyl]phenol.
What is the SMILES notation for 2-fluoro-4-[2-[4-[(4-prop-1-en-2-ylcyclohexyl)methyl]phenyl]ethynyl]phenol?
The canonical SMILES for 2-fluoro-4-[2-[4-[(4-prop-1-en-2-ylcyclohexyl)methyl]phenyl]ethynyl]phenol is C=C(C)C1CCC(Cc2ccc(C#Cc3ccc(O)c(F)c3)cc2)CC1.
What is the InChIKey of 2-fluoro-4-[2-[4-[(4-prop-1-en-2-ylcyclohexyl)methyl]phenyl]ethynyl]phenol?
The InChIKey is RUWHOVNENDNBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FO/c1-17(2)22-12-9-20(10-13-22)15-19-6-3-18(4-7-19)5-8-21-11-14-24(26)23(25)16-21/h3-4,6-7,11,14,16,20,22,26H,1,9-10,12-13,15H2,2H3.
What are the key properties of 2-fluoro-4-[2-[4-[(4-prop-1-en-2-ylcyclohexyl)methyl]phenyl]ethynyl]phenol?
2-fluoro-4-[2-[4-[(4-prop-1-en-2-ylcyclohexyl)methyl]phenyl]ethynyl]phenol has a molecular weight of 348.46 g/mol, XLogP of 5.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[2-[4-[(4-prop-1-en-2-ylcyclohexyl)methyl]phenyl]ethynyl]phenol is sourced from PubChem (CID 20724154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).