2,3-difluoro-4-[4-(5-methylhexan-2-yl)phenyl]phenol

C19H22F2O — CID 144843976

IUPAC2,3-difluoro-4-[4-(5-methylhexan-2-yl)phenyl]phenol
SMILESCC(C)CCC(C)c1ccc(-c2ccc(O)c(F)c2F)cc1
InChIInChI=1S/C19H22F2O/c1-12(2)4-5-13(3)14-6-8-15(9-7-14)16-10-11-17(22)19(21)18(16)20/h6-13,22H,4-5H2,1-3H3
InChIKeyUSKSZWLDGGXWTA-UHFFFAOYSA-N
MW304.38 g/mol
LogP5.88
Rot. Bonds5

About 2,3-difluoro-4-[4-(5-methylhexan-2-yl)phenyl]phenol

2,3-difluoro-4-[4-(5-methylhexan-2-yl)phenyl]phenol (PubChem CID 144843976) has the molecular formula C19H22F2O and a molecular weight of 304.38 g/mol. Its IUPAC name is 2,3-difluoro-4-[4-(5-methylhexan-2-yl)phenyl]phenol.

Molecular Properties

Compound Name2,3-difluoro-4-[4-(5-methylhexan-2-yl)phenyl]phenol
PubChem CID144843976
Molecular FormulaC19H22F2O
Molecular Weight304.38 g/mol
Exact Mass304.16
IUPAC Name2,3-difluoro-4-[4-(5-methylhexan-2-yl)phenyl]phenol
SMILESCC(C)CCC(C)c1ccc(-c2ccc(O)c(F)c2F)cc1
InChIInChI=1S/C19H22F2O/c1-12(2)4-5-13(3)14-6-8-15(9-7-14)16-10-11-17(22)19(21)18(16)20/h6-13,22H,4-5H2,1-3H3
InChIKeyUSKSZWLDGGXWTA-UHFFFAOYSA-N
XLogP5.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.38
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-ethylphenyl)-2,3-difluorophenol
CID 19911018
2,3-difluoro-4-phenylphenol
CID 46314770
ethane;2-fluoro-4-[(3Z)-hexa-1,3-dien-2-yl]-1-[4-(5-methylhexan-2-yl)phenyl]benzene
CID 145066060
5-butan-2-yl-2-(4-butan-2-ylphenyl)phenol
CID 141260416
4-(4-decoxyphenyl)-2,3-difluorophenol
CID 19430954
2,3-difluoro-4-[4-[4-[(E)-6-pentoxyhept-1-enyl]phenyl]phenyl]phenol
CID 70262779
2,3-difluoro-4-[6-[(E)-6-hydroxyhept-1-enyl]-3-pyridinyl]phenol
CID 19352550
6-[4-[2,3-difluoro-4-[4-(4-methylpentoxy)phenyl]phenyl]phenoxy]hexan-1-ol
CID 102130248
1-(2,5-dimethylhexoxy)-2,3-difluoro-4-(4-methylphenyl)benzene
CID 143776964
5-fluoro-2-(4-propan-2-ylphenyl)phenol
CID 83131035
6-[4-(4-bromo-2-fluorophenyl)phenyl]heptan-1-ol
CID 71146463
2,3-difluoro-4-[4-[2-[(E)-6-pentoxyhept-1-enyl]pyrimidin-5-yl]phenyl]phenol
CID 70263779

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-[4-(5-methylhexan-2-yl)phenyl]phenol?
The IUPAC name of 2,3-difluoro-4-[4-(5-methylhexan-2-yl)phenyl]phenol (CID 144843976) is 2,3-difluoro-4-[4-(5-methylhexan-2-yl)phenyl]phenol.
What is the SMILES notation for 2,3-difluoro-4-[4-(5-methylhexan-2-yl)phenyl]phenol?
The canonical SMILES for 2,3-difluoro-4-[4-(5-methylhexan-2-yl)phenyl]phenol is CC(C)CCC(C)c1ccc(-c2ccc(O)c(F)c2F)cc1.
What is the InChIKey of 2,3-difluoro-4-[4-(5-methylhexan-2-yl)phenyl]phenol?
The InChIKey is USKSZWLDGGXWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2O/c1-12(2)4-5-13(3)14-6-8-15(9-7-14)16-10-11-17(22)19(21)18(16)20/h6-13,22H,4-5H2,1-3H3.
What are the key properties of 2,3-difluoro-4-[4-(5-methylhexan-2-yl)phenyl]phenol?
2,3-difluoro-4-[4-(5-methylhexan-2-yl)phenyl]phenol has a molecular weight of 304.38 g/mol, XLogP of 5.88, 5 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-(5-methylhexan-2-yl)phenyl]phenol is sourced from PubChem (CID 144843976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).