[4-[2-fluoro-4-[(3Z)-5-methylideneocta-1,3-dien-2-yl]phenyl]phenyl]methanol

C22H23FO — CID 142370781

IUPAC[4-[2-fluoro-4-[(3Z)-5-methylideneocta-1,3-dien-2-yl]phenyl]phenyl]methanol
SMILESC=C(/C=C\C(=C)c1ccc(-c2ccc(CO)cc2)c(F)c1)CCC
InChIInChI=1S/C22H23FO/c1-4-5-16(2)6-7-17(3)20-12-13-21(22(23)14-20)19-10-8-18(15-24)9-11-19/h6-14,24H,2-5,15H2,1H3/b7-6-
InChIKeyBWVCCLBQHLYOQT-SREVYHEPSA-N
MW322.42 g/mol
LogP5.91
Rot. Bonds7

About [4-[2-fluoro-4-[(3Z)-5-methylideneocta-1,3-dien-2-yl]phenyl]phenyl]methanol

[4-[2-fluoro-4-[(3Z)-5-methylideneocta-1,3-dien-2-yl]phenyl]phenyl]methanol (PubChem CID 142370781) has the molecular formula C22H23FO and a molecular weight of 322.42 g/mol. Its IUPAC name is [4-[2-fluoro-4-[(3Z)-5-methylideneocta-1,3-dien-2-yl]phenyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[2-fluoro-4-[(3Z)-5-methylideneocta-1,3-dien-2-yl]phenyl]phenyl]methanol
PubChem CID142370781
Molecular FormulaC22H23FO
Molecular Weight322.42 g/mol
Exact Mass322.17
IUPAC Name[4-[2-fluoro-4-[(3Z)-5-methylideneocta-1,3-dien-2-yl]phenyl]phenyl]methanol
SMILESC=C(/C=C\C(=C)c1ccc(-c2ccc(CO)cc2)c(F)c1)CCC
InChIInChI=1S/C22H23FO/c1-4-5-16(2)6-7-17(3)20-12-13-21(22(23)14-20)19-10-8-18(15-24)9-11-19/h6-14,24H,2-5,15H2,1H3/b7-6-
InChIKeyBWVCCLBQHLYOQT-SREVYHEPSA-N
XLogP5.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.42
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-fluoro-4-[(3Z)-hexa-1,3-dien-2-yl]-1-[4-(5-methylhexan-2-yl)phenyl]benzene
CID 145066060
3-fluoro-4-(4-prop-2-enylphenyl)benzoic acid
CID 67697446
1-[4-[(Z)-3,6-dimethylideneoct-4-enyl]phenyl]-2,3-difluoro-4-propoxybenzene
CID 145339846
4-(2-fluoro-4-propylphenyl)phenol
CID 139457311
2-[4-(2-fluoro-4-propylphenyl)phenyl]ethanol
CID 134432733
1-[(Z,3Z)-3-ethylidene-6-methylidenenon-4-enyl]-4-fluorobenzene
CID 143694215
4-(4-but-2-enylphenyl)-2-fluoro-1-(4-methylphenyl)benzene
CID 59307258
4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene
CID 129263989
ethane;2-fluoro-4-(3-methoxybut-3-enyl)-1-(4-propylphenyl)benzene;hydrogen peroxide
CID 144914338
4-(4-but-3-enylphenyl)-2-fluoro-1-(4-propylphenyl)benzene
CID 118136047
1-[3-fluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]-2,2-dimethylpropan-1-one
CID 142331671
5-[4-[1,2-difluoro-2-[4-(4-propylphenyl)phenyl]ethenyl]-2-fluorophenyl]-1,2,3-trifluorobenzene
CID 123579060

Frequently Asked Questions

What is the IUPAC name of [4-[2-fluoro-4-[(3Z)-5-methylideneocta-1,3-dien-2-yl]phenyl]phenyl]methanol?
The IUPAC name of [4-[2-fluoro-4-[(3Z)-5-methylideneocta-1,3-dien-2-yl]phenyl]phenyl]methanol (CID 142370781) is [4-[2-fluoro-4-[(3Z)-5-methylideneocta-1,3-dien-2-yl]phenyl]phenyl]methanol.
What is the SMILES notation for [4-[2-fluoro-4-[(3Z)-5-methylideneocta-1,3-dien-2-yl]phenyl]phenyl]methanol?
The canonical SMILES for [4-[2-fluoro-4-[(3Z)-5-methylideneocta-1,3-dien-2-yl]phenyl]phenyl]methanol is C=C(/C=C\C(=C)c1ccc(-c2ccc(CO)cc2)c(F)c1)CCC.
What is the InChIKey of [4-[2-fluoro-4-[(3Z)-5-methylideneocta-1,3-dien-2-yl]phenyl]phenyl]methanol?
The InChIKey is BWVCCLBQHLYOQT-SREVYHEPSA-N. The full InChI is InChI=1S/C22H23FO/c1-4-5-16(2)6-7-17(3)20-12-13-21(22(23)14-20)19-10-8-18(15-24)9-11-19/h6-14,24H,2-5,15H2,1H3/b7-6-.
What are the key properties of [4-[2-fluoro-4-[(3Z)-5-methylideneocta-1,3-dien-2-yl]phenyl]phenyl]methanol?
[4-[2-fluoro-4-[(3Z)-5-methylideneocta-1,3-dien-2-yl]phenyl]phenyl]methanol has a molecular weight of 322.42 g/mol, XLogP of 5.91, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-fluoro-4-[(3Z)-5-methylideneocta-1,3-dien-2-yl]phenyl]phenyl]methanol is sourced from PubChem (CID 142370781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).