[2-[difluoro-(3-propan-2-ylphenyl)methyl]-4,5-dimethylphenyl]methanol

C19H22F2O — CID 139592643

IUPAC[2-[difluoro-(3-propan-2-ylphenyl)methyl]-4,5-dimethylphenyl]methanol
SMILESCc1cc(CO)c(C(F)(F)c2cccc(C(C)C)c2)cc1C
InChIInChI=1S/C19H22F2O/c1-12(2)15-6-5-7-17(10-15)19(20,21)18-9-14(4)13(3)8-16(18)11-22/h5-10,12,22H,11H2,1-4H3
InChIKeyOUIKFGJWLVOOLZ-UHFFFAOYSA-N
MW304.38 g/mol
LogP5.06
Rot. Bonds4

About [2-[difluoro-(3-propan-2-ylphenyl)methyl]-4,5-dimethylphenyl]methanol

[2-[difluoro-(3-propan-2-ylphenyl)methyl]-4,5-dimethylphenyl]methanol (PubChem CID 139592643) has the molecular formula C19H22F2O and a molecular weight of 304.38 g/mol. Its IUPAC name is [2-[difluoro-(3-propan-2-ylphenyl)methyl]-4,5-dimethylphenyl]methanol.

Molecular Properties

Compound Name[2-[difluoro-(3-propan-2-ylphenyl)methyl]-4,5-dimethylphenyl]methanol
PubChem CID139592643
Molecular FormulaC19H22F2O
Molecular Weight304.38 g/mol
Exact Mass304.16
IUPAC Name[2-[difluoro-(3-propan-2-ylphenyl)methyl]-4,5-dimethylphenyl]methanol
SMILESCc1cc(CO)c(C(F)(F)c2cccc(C(C)C)c2)cc1C
InChIInChI=1S/C19H22F2O/c1-12(2)15-6-5-7-17(10-15)19(20,21)18-9-14(4)13(3)8-16(18)11-22/h5-10,12,22H,11H2,1-4H3
InChIKeyOUIKFGJWLVOOLZ-UHFFFAOYSA-N
XLogP5.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.38
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-difluoro-2-methyl-1-(3-propan-2-ylphenyl)propan-2-ol
CID 164919043
[2-(3-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methanol
CID 66837706
ethyl (3S)-3-amino-3-[3-[difluoro-(2-methylphenyl)methyl]phenyl]propanoate
CID 140935887
ethyl (3R)-3-amino-3-[3-[difluoro-(2-methylphenyl)methyl]phenyl]propanoate
CID 140935923
1-(3-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)ethanol
CID 121230476
[2,6-dimethyl-4-(3-propan-2-ylphenyl)phenyl]methanol
CID 172876842
1,1,1,4,4,5,5,6,6,7,7,8,8,9,9,9-hexadecafluoro-2-(3-propan-2-ylphenyl)nonan-2-ol
CID 162347393
2-amino-1-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanol
CID 116992716
2-amino-2-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanol
CID 116992715
2-[3-(1,1-difluoro-2-methylpropyl)phenyl]butan-1-ol
CID 116992734
3-methyl-3-(3-propan-2-ylphenyl)butanoic acid
CID 117314732
1-[2,3-dimethyl-3-(3-propan-2-ylphenyl)butan-2-yl]-4-propan-2-ylbenzene
CID 56993717

Frequently Asked Questions

What is the IUPAC name of [2-[difluoro-(3-propan-2-ylphenyl)methyl]-4,5-dimethylphenyl]methanol?
The IUPAC name of [2-[difluoro-(3-propan-2-ylphenyl)methyl]-4,5-dimethylphenyl]methanol (CID 139592643) is [2-[difluoro-(3-propan-2-ylphenyl)methyl]-4,5-dimethylphenyl]methanol.
What is the SMILES notation for [2-[difluoro-(3-propan-2-ylphenyl)methyl]-4,5-dimethylphenyl]methanol?
The canonical SMILES for [2-[difluoro-(3-propan-2-ylphenyl)methyl]-4,5-dimethylphenyl]methanol is Cc1cc(CO)c(C(F)(F)c2cccc(C(C)C)c2)cc1C.
What is the InChIKey of [2-[difluoro-(3-propan-2-ylphenyl)methyl]-4,5-dimethylphenyl]methanol?
The InChIKey is OUIKFGJWLVOOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2O/c1-12(2)15-6-5-7-17(10-15)19(20,21)18-9-14(4)13(3)8-16(18)11-22/h5-10,12,22H,11H2,1-4H3.
What are the key properties of [2-[difluoro-(3-propan-2-ylphenyl)methyl]-4,5-dimethylphenyl]methanol?
[2-[difluoro-(3-propan-2-ylphenyl)methyl]-4,5-dimethylphenyl]methanol has a molecular weight of 304.38 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[difluoro-(3-propan-2-ylphenyl)methyl]-4,5-dimethylphenyl]methanol is sourced from PubChem (CID 139592643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).