[4-[(3,5-difluorophenyl)methoxy]-3,5-dimethylphenyl]methanol

C16H16F2O2 — CID 105404106

IUPAC[4-[(3,5-difluorophenyl)methoxy]-3,5-dimethylphenyl]methanol
SMILESCc1cc(CO)cc(C)c1OCc1cc(F)cc(F)c1
InChIInChI=1S/C16H16F2O2/c1-10-3-12(8-19)4-11(2)16(10)20-9-13-5-14(17)7-15(18)6-13/h3-7,19H,8-9H2,1-2H3
InChIKeyDODBUTDOFIYDOJ-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.65
Rot. Bonds4

About [4-[(3,5-difluorophenyl)methoxy]-3,5-dimethylphenyl]methanol

[4-[(3,5-difluorophenyl)methoxy]-3,5-dimethylphenyl]methanol (PubChem CID 105404106) has the molecular formula C16H16F2O2 and a molecular weight of 278.30 g/mol. Its IUPAC name is [4-[(3,5-difluorophenyl)methoxy]-3,5-dimethylphenyl]methanol.

Molecular Properties

Compound Name[4-[(3,5-difluorophenyl)methoxy]-3,5-dimethylphenyl]methanol
PubChem CID105404106
Molecular FormulaC16H16F2O2
Molecular Weight278.30 g/mol
Exact Mass278.11
IUPAC Name[4-[(3,5-difluorophenyl)methoxy]-3,5-dimethylphenyl]methanol
SMILESCc1cc(CO)cc(C)c1OCc1cc(F)cc(F)c1
InChIInChI=1S/C16H16F2O2/c1-10-3-12(8-19)4-11(2)16(10)20-9-13-5-14(17)7-15(18)6-13/h3-7,19H,8-9H2,1-2H3
InChIKeyDODBUTDOFIYDOJ-UHFFFAOYSA-N
XLogP3.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(5-fluoro-2-methylphenyl)methoxy]-3,5-dimethylphenyl]methanol
CID 105372055
[4-[(2-fluorophenyl)methoxy]-3,5-dimethylphenyl]methanol
CID 28933284
[4-[(3,4-dimethylphenyl)methoxy]-3,5-difluorophenyl]methanol
CID 79888635
[3-[(4-chloro-2,6-dimethylphenoxy)methyl]-5-fluorophenyl]boronic acid
CID 79700723
[4-[(3-chlorophenyl)methoxy]-3,5-dimethylphenyl]methanol
CID 28933245
4-[(3-bromo-5-fluorophenyl)methoxy]-3,5-dimethylaniline
CID 79704433
[3,5-dimethyl-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol
CID 28933161
3-[[4-(chloromethyl)-2,6-dimethylphenoxy]methyl]-5-fluoropyridine
CID 114084526
[3,5-dimethyl-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanol
CID 28933165
4-fluoro-3-[[4-(hydroxymethyl)-2,6-dimethylphenoxy]methyl]benzonitrile
CID 28933257
[4-[(1-ethylpyrazol-4-yl)methoxy]-3,5-dimethylphenyl]methanol
CID 62127449
[4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethylphenyl]methanol
CID 28933274

Frequently Asked Questions

What is the IUPAC name of [4-[(3,5-difluorophenyl)methoxy]-3,5-dimethylphenyl]methanol?
The IUPAC name of [4-[(3,5-difluorophenyl)methoxy]-3,5-dimethylphenyl]methanol (CID 105404106) is [4-[(3,5-difluorophenyl)methoxy]-3,5-dimethylphenyl]methanol.
What is the SMILES notation for [4-[(3,5-difluorophenyl)methoxy]-3,5-dimethylphenyl]methanol?
The canonical SMILES for [4-[(3,5-difluorophenyl)methoxy]-3,5-dimethylphenyl]methanol is Cc1cc(CO)cc(C)c1OCc1cc(F)cc(F)c1.
What is the InChIKey of [4-[(3,5-difluorophenyl)methoxy]-3,5-dimethylphenyl]methanol?
The InChIKey is DODBUTDOFIYDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O2/c1-10-3-12(8-19)4-11(2)16(10)20-9-13-5-14(17)7-15(18)6-13/h3-7,19H,8-9H2,1-2H3.
What are the key properties of [4-[(3,5-difluorophenyl)methoxy]-3,5-dimethylphenyl]methanol?
[4-[(3,5-difluorophenyl)methoxy]-3,5-dimethylphenyl]methanol has a molecular weight of 278.30 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,5-difluorophenyl)methoxy]-3,5-dimethylphenyl]methanol is sourced from PubChem (CID 105404106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).