[3-(difluoromethyl)phenyl]-(2-propan-2-yloxyphenyl)methanol

C17H18F2O2 — CID 115527689

IUPAC[3-(difluoromethyl)phenyl]-(2-propan-2-yloxyphenyl)methanol
SMILESCC(C)Oc1ccccc1C(O)c1cccc(C(F)F)c1
InChIInChI=1S/C17H18F2O2/c1-11(2)21-15-9-4-3-8-14(15)16(20)12-6-5-7-13(10-12)17(18)19/h3-11,16-17,20H,1-2H3
InChIKeyJUWHLQBQFQRUHC-UHFFFAOYSA-N
MW292.33 g/mol
LogP4.49
Rot. Bonds5

About [3-(difluoromethyl)phenyl]-(2-propan-2-yloxyphenyl)methanol

[3-(difluoromethyl)phenyl]-(2-propan-2-yloxyphenyl)methanol (PubChem CID 115527689) has the molecular formula C17H18F2O2 and a molecular weight of 292.33 g/mol. Its IUPAC name is [3-(difluoromethyl)phenyl]-(2-propan-2-yloxyphenyl)methanol.

Molecular Properties

Compound Name[3-(difluoromethyl)phenyl]-(2-propan-2-yloxyphenyl)methanol
PubChem CID115527689
Molecular FormulaC17H18F2O2
Molecular Weight292.33 g/mol
Exact Mass292.13
IUPAC Name[3-(difluoromethyl)phenyl]-(2-propan-2-yloxyphenyl)methanol
SMILESCC(C)Oc1ccccc1C(O)c1cccc(C(F)F)c1
InChIInChI=1S/C17H18F2O2/c1-11(2)21-15-9-4-3-8-14(15)16(20)12-6-5-7-13(10-12)17(18)19/h3-11,16-17,20H,1-2H3
InChIKeyJUWHLQBQFQRUHC-UHFFFAOYSA-N
XLogP4.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-iodophenyl)-(2-propan-2-yloxyphenyl)methanol
CID 115823656
[2-(difluoromethoxy)phenyl]-(3-methylphenyl)methanol
CID 63895753
(3,5-dibromophenyl)-(2-propan-2-yloxyphenyl)methanol
CID 107978570
(4-chloro-3-methylphenyl)-(2-propan-2-yloxyphenyl)methanol
CID 115823780
[4-(difluoromethyl)phenyl]-(2-methoxyphenyl)methanol
CID 115525064
[3-(difluoromethyl)phenyl]-(2,6-dimethoxyphenyl)methanol
CID 116809823
4-[hydroxy-(2-propan-2-yloxyphenyl)methyl]benzonitrile
CID 115480983
1-(2-propan-2-yloxyphenyl)propane-1,2-diol
CID 103452569
[3-(difluoromethyl)phenyl]-(2,4-dimethylphenyl)methanol
CID 115527668
(R)-(2-bromophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 97056028
[3-(difluoromethyl)phenyl]-(2-fluoro-5-methylphenyl)methanol
CID 115527738
[3-(difluoromethyl)phenyl]-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103432669

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethyl)phenyl]-(2-propan-2-yloxyphenyl)methanol?
The IUPAC name of [3-(difluoromethyl)phenyl]-(2-propan-2-yloxyphenyl)methanol (CID 115527689) is [3-(difluoromethyl)phenyl]-(2-propan-2-yloxyphenyl)methanol.
What is the SMILES notation for [3-(difluoromethyl)phenyl]-(2-propan-2-yloxyphenyl)methanol?
The canonical SMILES for [3-(difluoromethyl)phenyl]-(2-propan-2-yloxyphenyl)methanol is CC(C)Oc1ccccc1C(O)c1cccc(C(F)F)c1.
What is the InChIKey of [3-(difluoromethyl)phenyl]-(2-propan-2-yloxyphenyl)methanol?
The InChIKey is JUWHLQBQFQRUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2O2/c1-11(2)21-15-9-4-3-8-14(15)16(20)12-6-5-7-13(10-12)17(18)19/h3-11,16-17,20H,1-2H3.
What are the key properties of [3-(difluoromethyl)phenyl]-(2-propan-2-yloxyphenyl)methanol?
[3-(difluoromethyl)phenyl]-(2-propan-2-yloxyphenyl)methanol has a molecular weight of 292.33 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethyl)phenyl]-(2-propan-2-yloxyphenyl)methanol is sourced from PubChem (CID 115527689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).