2-[2,6-difluoro-4-(4-pentylphenyl)phenyl]ethanol

C19H22F2O — CID 18552265

IUPAC2-[2,6-difluoro-4-(4-pentylphenyl)phenyl]ethanol
SMILESCCCCCc1ccc(-c2cc(F)c(CCO)c(F)c2)cc1
InChIInChI=1S/C19H22F2O/c1-2-3-4-5-14-6-8-15(9-7-14)16-12-18(20)17(10-11-22)19(21)13-16/h6-9,12-13,22H,2-5,10-11H2,1H3
InChIKeyJLOMRTKYRVWVSS-UHFFFAOYSA-N
MW304.38 g/mol
LogP4.90
Rot. Bonds7

About 2-[2,6-difluoro-4-(4-pentylphenyl)phenyl]ethanol

2-[2,6-difluoro-4-(4-pentylphenyl)phenyl]ethanol (PubChem CID 18552265) has the molecular formula C19H22F2O and a molecular weight of 304.38 g/mol. Its IUPAC name is 2-[2,6-difluoro-4-(4-pentylphenyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[2,6-difluoro-4-(4-pentylphenyl)phenyl]ethanol
PubChem CID18552265
Molecular FormulaC19H22F2O
Molecular Weight304.38 g/mol
Exact Mass304.16
IUPAC Name2-[2,6-difluoro-4-(4-pentylphenyl)phenyl]ethanol
SMILESCCCCCc1ccc(-c2cc(F)c(CCO)c(F)c2)cc1
InChIInChI=1S/C19H22F2O/c1-2-3-4-5-14-6-8-15(9-7-14)16-12-18(20)17(10-11-22)19(21)13-16/h6-9,12-13,22H,2-5,10-11H2,1H3
InChIKeyJLOMRTKYRVWVSS-UHFFFAOYSA-N
XLogP4.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-[4-[7-[4-(3,5-difluoro-4-pentylphenyl)phenyl]heptyl]phenyl]-1,3-difluoro-2-pentylbenzene
CID 121343129
2-[2,6-difluoro-4-(4-pentylphenyl)phenyl]acetaldehyde
CID 18552270
3-[4-(4-pentylphenyl)phenyl]propan-1-ol
CID 86125819
2-butoxy-1,3-difluoro-5-(4-pentylphenyl)benzene
CID 67842427
1,3-difluoro-5-(4-hexylphenyl)benzene
CID 130468309
2-fluoro-4-(4-heptylphenyl)-1-pentylbenzene
CID 67842495
2-fluoro-4-[3-fluoro-4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene
CID 59547087
5-[4-[4-(4-butylphenyl)phenyl]phenyl]-1,2,3-trifluorobenzene;5-[4-[4-(4-ethylphenyl)phenyl]phenyl]-1,2,3-trifluorobenzene;1,2,3-trifluoro-5-[4-[4-(4-pentylphenyl)phenyl]phenyl]benzene;1,2,3-trifluoro-5-[4-[4-(4-propylphenyl)phenyl]phenyl]benzene
CID 157287017
5-[4-[4-(3,4,5-trifluorophenyl)phenyl]phenyl]pentan-1-ol
CID 90163478
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
2,6-difluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenol
CID 139457352
2,5-difluoro-4-[4-(4-octylphenyl)phenyl]phenol
CID 54446748

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-difluoro-4-(4-pentylphenyl)phenyl]ethanol?
The IUPAC name of 2-[2,6-difluoro-4-(4-pentylphenyl)phenyl]ethanol (CID 18552265) is 2-[2,6-difluoro-4-(4-pentylphenyl)phenyl]ethanol.
What is the SMILES notation for 2-[2,6-difluoro-4-(4-pentylphenyl)phenyl]ethanol?
The canonical SMILES for 2-[2,6-difluoro-4-(4-pentylphenyl)phenyl]ethanol is CCCCCc1ccc(-c2cc(F)c(CCO)c(F)c2)cc1.
What is the InChIKey of 2-[2,6-difluoro-4-(4-pentylphenyl)phenyl]ethanol?
The InChIKey is JLOMRTKYRVWVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2O/c1-2-3-4-5-14-6-8-15(9-7-14)16-12-18(20)17(10-11-22)19(21)13-16/h6-9,12-13,22H,2-5,10-11H2,1H3.
What are the key properties of 2-[2,6-difluoro-4-(4-pentylphenyl)phenyl]ethanol?
2-[2,6-difluoro-4-(4-pentylphenyl)phenyl]ethanol has a molecular weight of 304.38 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-difluoro-4-(4-pentylphenyl)phenyl]ethanol is sourced from PubChem (CID 18552265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).