[2-[(2,6-dichlorophenyl)methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol

C15H13Cl2FO3 — CID 112788149

IUPAC[2-[(2,6-dichlorophenyl)methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol
SMILESOCc1cc(F)cc(CO)c1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C15H13Cl2FO3/c16-13-2-1-3-14(17)12(13)8-21-15-9(6-19)4-11(18)5-10(15)7-20/h1-5,19-20H,6-8H2
InChIKeyNJGBFLCSCJDDJE-UHFFFAOYSA-N
MW331.17 g/mol
LogP3.70
Rot. Bonds5

About [2-[(2,6-dichlorophenyl)methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol

[2-[(2,6-dichlorophenyl)methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol (PubChem CID 112788149) has the molecular formula C15H13Cl2FO3 and a molecular weight of 331.17 g/mol. Its IUPAC name is [2-[(2,6-dichlorophenyl)methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol.

Molecular Properties

Compound Name[2-[(2,6-dichlorophenyl)methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol
PubChem CID112788149
Molecular FormulaC15H13Cl2FO3
Molecular Weight331.17 g/mol
Exact Mass330.02
IUPAC Name[2-[(2,6-dichlorophenyl)methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol
SMILESOCc1cc(F)cc(CO)c1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C15H13Cl2FO3/c16-13-2-1-3-14(17)12(13)8-21-15-9(6-19)4-11(18)5-10(15)7-20/h1-5,19-20H,6-8H2
InChIKeyNJGBFLCSCJDDJE-UHFFFAOYSA-N
XLogP3.70
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(2-chloro-5-fluorophenyl)methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol
CID 99823533
[3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanol
CID 112612622
[5-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methylphenyl]methanol
CID 115962142
3-bromo-2-[(2,6-dichlorophenyl)methoxy]-5-fluoroaniline
CID 43379258
[3-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methanol
CID 115956286
[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methanamine
CID 107694925
[3-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]methanol
CID 103046982
[2-[(2-chlorophenyl)methoxy]-3-fluorophenyl]methanol
CID 112613091
[3-chloro-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol
CID 115956314
[2-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol
CID 91649156
N-[[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine
CID 107695682
[5-fluoro-3-(hydroxymethyl)-2-[(3-nitrophenyl)methoxy]phenyl]methanol
CID 112788151

Frequently Asked Questions

What is the IUPAC name of [2-[(2,6-dichlorophenyl)methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol?
The IUPAC name of [2-[(2,6-dichlorophenyl)methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol (CID 112788149) is [2-[(2,6-dichlorophenyl)methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol.
What is the SMILES notation for [2-[(2,6-dichlorophenyl)methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol?
The canonical SMILES for [2-[(2,6-dichlorophenyl)methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol is OCc1cc(F)cc(CO)c1OCc1c(Cl)cccc1Cl.
What is the InChIKey of [2-[(2,6-dichlorophenyl)methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol?
The InChIKey is NJGBFLCSCJDDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FO3/c16-13-2-1-3-14(17)12(13)8-21-15-9(6-19)4-11(18)5-10(15)7-20/h1-5,19-20H,6-8H2.
What are the key properties of [2-[(2,6-dichlorophenyl)methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol?
[2-[(2,6-dichlorophenyl)methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol has a molecular weight of 331.17 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,6-dichlorophenyl)methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol is sourced from PubChem (CID 112788149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).