[3-(difluoromethyl)-4-(4-phenylmethoxyphenyl)phenyl]methanol

C21H18F2O2 — CID 170919037

IUPAC[3-(difluoromethyl)-4-(4-phenylmethoxyphenyl)phenyl]methanol
SMILESOCc1ccc(-c2ccc(OCc3ccccc3)cc2)c(C(F)F)c1
InChIInChI=1S/C21H18F2O2/c22-21(23)20-12-16(13-24)6-11-19(20)17-7-9-18(10-8-17)25-14-15-4-2-1-3-5-15/h1-12,21,24H,13-14H2
InChIKeyCHRGOMAZSAUBLO-UHFFFAOYSA-N
MW340.37 g/mol
LogP5.36
Rot. Bonds6

About [3-(difluoromethyl)-4-(4-phenylmethoxyphenyl)phenyl]methanol

[3-(difluoromethyl)-4-(4-phenylmethoxyphenyl)phenyl]methanol (PubChem CID 170919037) has the molecular formula C21H18F2O2 and a molecular weight of 340.37 g/mol. Its IUPAC name is [3-(difluoromethyl)-4-(4-phenylmethoxyphenyl)phenyl]methanol.

Molecular Properties

Compound Name[3-(difluoromethyl)-4-(4-phenylmethoxyphenyl)phenyl]methanol
PubChem CID170919037
Molecular FormulaC21H18F2O2
Molecular Weight340.37 g/mol
Exact Mass340.13
IUPAC Name[3-(difluoromethyl)-4-(4-phenylmethoxyphenyl)phenyl]methanol
SMILESOCc1ccc(-c2ccc(OCc3ccccc3)cc2)c(C(F)F)c1
InChIInChI=1S/C21H18F2O2/c22-21(23)20-12-16(13-24)6-11-19(20)17-7-9-18(10-8-17)25-14-15-4-2-1-3-5-15/h1-12,21,24H,13-14H2
InChIKeyCHRGOMAZSAUBLO-UHFFFAOYSA-N
XLogP5.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.37
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-4-(4-phenylmethoxyphenyl)phenol
CID 53219756
[4-(4-aminophenyl)-3-(difluoromethyl)phenyl]methanol
CID 170919038
2-phenyl-5-phenylmethoxyphenol
CID 123808909
[3-(difluoromethyl)-4-(2-fluorophenyl)phenyl]methanol
CID 170919018
[3-[[4-(difluoromethoxy)phenyl]methoxy]phenyl]methanol
CID 111770249
[3,5-difluoro-4-(4-phenylmethoxyphenyl)phenyl]methanol;ethanol
CID 70007811
1-[4-(4-phenylmethoxyphenyl)phenyl]propan-2-ol
CID 18927881
2-bromo-1-(difluoromethyl)-4-phenylmethoxybenzene
CID 154815122
2,4-diethoxy-1-(4-phenylmethoxyphenyl)benzene
CID 54039072
2-[4-(difluoromethyl)phenyl]-5-phenylmethoxybenzaldehyde
CID 172651354
(3-phenyl-4-phenylmethoxyphenyl)methanol
CID 164896135
2-[3-chloro-4-(4-phenylmethoxyphenyl)phenyl]acetic acid
CID 176516053

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethyl)-4-(4-phenylmethoxyphenyl)phenyl]methanol?
The IUPAC name of [3-(difluoromethyl)-4-(4-phenylmethoxyphenyl)phenyl]methanol (CID 170919037) is [3-(difluoromethyl)-4-(4-phenylmethoxyphenyl)phenyl]methanol.
What is the SMILES notation for [3-(difluoromethyl)-4-(4-phenylmethoxyphenyl)phenyl]methanol?
The canonical SMILES for [3-(difluoromethyl)-4-(4-phenylmethoxyphenyl)phenyl]methanol is OCc1ccc(-c2ccc(OCc3ccccc3)cc2)c(C(F)F)c1.
What is the InChIKey of [3-(difluoromethyl)-4-(4-phenylmethoxyphenyl)phenyl]methanol?
The InChIKey is CHRGOMAZSAUBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2O2/c22-21(23)20-12-16(13-24)6-11-19(20)17-7-9-18(10-8-17)25-14-15-4-2-1-3-5-15/h1-12,21,24H,13-14H2.
What are the key properties of [3-(difluoromethyl)-4-(4-phenylmethoxyphenyl)phenyl]methanol?
[3-(difluoromethyl)-4-(4-phenylmethoxyphenyl)phenyl]methanol has a molecular weight of 340.37 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethyl)-4-(4-phenylmethoxyphenyl)phenyl]methanol is sourced from PubChem (CID 170919037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).