[3-fluoro-4-(6-phenylhex-1-ynyl)phenyl]methanol

C19H19FO — CID 90388773

IUPAC[3-fluoro-4-(6-phenylhex-1-ynyl)phenyl]methanol
SMILESOCc1ccc(C#CCCCCc2ccccc2)c(F)c1
InChIInChI=1S/C19H19FO/c20-19-14-17(15-21)12-13-18(19)11-7-2-1-4-8-16-9-5-3-6-10-16/h3,5-6,9-10,12-14,21H,1-2,4,8,15H2
InChIKeyRTMPUQRDRFCFEX-UHFFFAOYSA-N
MW282.36 g/mol
LogP4.08
Rot. Bonds5

About [3-fluoro-4-(6-phenylhex-1-ynyl)phenyl]methanol

[3-fluoro-4-(6-phenylhex-1-ynyl)phenyl]methanol (PubChem CID 90388773) has the molecular formula C19H19FO and a molecular weight of 282.36 g/mol. Its IUPAC name is [3-fluoro-4-(6-phenylhex-1-ynyl)phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-4-(6-phenylhex-1-ynyl)phenyl]methanol
PubChem CID90388773
Molecular FormulaC19H19FO
Molecular Weight282.36 g/mol
Exact Mass282.14
IUPAC Name[3-fluoro-4-(6-phenylhex-1-ynyl)phenyl]methanol
SMILESOCc1ccc(C#CCCCCc2ccccc2)c(F)c1
InChIInChI=1S/C19H19FO/c20-19-14-17(15-21)12-13-18(19)11-7-2-1-4-8-16-9-5-3-6-10-16/h3,5-6,9-10,12-14,21H,1-2,4,8,15H2
InChIKeyRTMPUQRDRFCFEX-UHFFFAOYSA-N
XLogP4.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[3-(6-phenylhexyl)phenyl]methanol
CID 139920561
ethyl 3-chloro-4-(6-phenylhex-1-ynyl)benzoate
CID 90388822
2-fluoro-1,4-bis[2-(4-heptylphenyl)ethynyl]benzene
CID 18959969
[4-(4-bromobut-1-ynyl)-3-methylphenyl]methanol
CID 170466013
4-phenylbutylbenzene
CID 141301927
3-[12-(2-fluorophenyl)dodec-11-ynoxy]propan-1-ol
CID 162744256
1-fluoro-2-tridec-1-ynylbenzene
CID 162401723
8-methyl-5-(7-phenylhept-1-ynyl)quinoline
CID 123763998
(3,4-difluorophenyl)methanol
CID 522833
2-fluoro-4-(4-phenylbutoxy)benzonitrile
CID 114335058
4-chloro-2-fluoro-1-[2-(4-pentylphenyl)ethynyl]benzene
CID 139730169
1-[2-(4-decylphenyl)ethynyl]-2,4-difluorobenzene
CID 139909517

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(6-phenylhex-1-ynyl)phenyl]methanol?
The IUPAC name of [3-fluoro-4-(6-phenylhex-1-ynyl)phenyl]methanol (CID 90388773) is [3-fluoro-4-(6-phenylhex-1-ynyl)phenyl]methanol.
What is the SMILES notation for [3-fluoro-4-(6-phenylhex-1-ynyl)phenyl]methanol?
The canonical SMILES for [3-fluoro-4-(6-phenylhex-1-ynyl)phenyl]methanol is OCc1ccc(C#CCCCCc2ccccc2)c(F)c1.
What is the InChIKey of [3-fluoro-4-(6-phenylhex-1-ynyl)phenyl]methanol?
The InChIKey is RTMPUQRDRFCFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FO/c20-19-14-17(15-21)12-13-18(19)11-7-2-1-4-8-16-9-5-3-6-10-16/h3,5-6,9-10,12-14,21H,1-2,4,8,15H2.
What are the key properties of [3-fluoro-4-(6-phenylhex-1-ynyl)phenyl]methanol?
[3-fluoro-4-(6-phenylhex-1-ynyl)phenyl]methanol has a molecular weight of 282.36 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(6-phenylhex-1-ynyl)phenyl]methanol is sourced from PubChem (CID 90388773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).