[5-[(2-chloro-6-fluorophenyl)methoxy]-2-(2-methylpropyl)phenyl]methanol

C18H20ClFO2 — CID 178141229

IUPAC[5-[(2-chloro-6-fluorophenyl)methoxy]-2-(2-methylpropyl)phenyl]methanol
SMILESCC(C)Cc1ccc(OCc2c(F)cccc2Cl)cc1CO
InChIInChI=1S/C18H20ClFO2/c1-12(2)8-13-6-7-15(9-14(13)10-21)22-11-16-17(19)4-3-5-18(16)20/h3-7,9,12,21H,8,10-11H2,1-2H3
InChIKeyHMUVKQNAQVEXKJ-UHFFFAOYSA-N
MW322.81 g/mol
LogP4.75
Rot. Bonds6

About [5-[(2-chloro-6-fluorophenyl)methoxy]-2-(2-methylpropyl)phenyl]methanol

[5-[(2-chloro-6-fluorophenyl)methoxy]-2-(2-methylpropyl)phenyl]methanol (PubChem CID 178141229) has the molecular formula C18H20ClFO2 and a molecular weight of 322.81 g/mol. Its IUPAC name is [5-[(2-chloro-6-fluorophenyl)methoxy]-2-(2-methylpropyl)phenyl]methanol.

Molecular Properties

Compound Name[5-[(2-chloro-6-fluorophenyl)methoxy]-2-(2-methylpropyl)phenyl]methanol
PubChem CID178141229
Molecular FormulaC18H20ClFO2
Molecular Weight322.81 g/mol
Exact Mass322.11
IUPAC Name[5-[(2-chloro-6-fluorophenyl)methoxy]-2-(2-methylpropyl)phenyl]methanol
SMILESCC(C)Cc1ccc(OCc2c(F)cccc2Cl)cc1CO
InChIInChI=1S/C18H20ClFO2/c1-12(2)8-13-6-7-15(9-14(13)10-21)22-11-16-17(19)4-3-5-18(16)20/h3-7,9,12,21H,8,10-11H2,1-2H3
InChIKeyHMUVKQNAQVEXKJ-UHFFFAOYSA-N
XLogP4.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.81
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [5-[(2-chloro-6-fluorophenyl)methoxy]-2-(2-methylpropyl)phenyl]methanol with MolForge

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Related Compounds

1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 61496605
2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]butan-1-ol
CID 178141121
1-chloro-3-fluoro-2-[(3-methylphenoxy)methyl]benzene
CID 60627894
[3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanol
CID 112612622
(1R)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanamine
CID 63367550
N-[[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine
CID 39443756
7-[(2-chloro-6-fluorophenyl)methoxy]naphthalen-2-ol
CID 63549722
5-[(2-chloro-6-fluorophenyl)methoxy]-2-methylaniline
CID 39365275
3-[(2-chloro-6-fluorophenyl)methoxy]-N-(2-methylpropyl)benzamide
CID 13176414
3-(2-chloro-6-fluorophenyl)-2-methylpropan-1-ol
CID 66059359
2-(bromomethyl)-1-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxybenzene
CID 63535348
2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]benzenecarbothioamide
CID 102724350

Frequently Asked Questions

What is the IUPAC name of [5-[(2-chloro-6-fluorophenyl)methoxy]-2-(2-methylpropyl)phenyl]methanol?
The IUPAC name of [5-[(2-chloro-6-fluorophenyl)methoxy]-2-(2-methylpropyl)phenyl]methanol (CID 178141229) is [5-[(2-chloro-6-fluorophenyl)methoxy]-2-(2-methylpropyl)phenyl]methanol.
What is the SMILES notation for [5-[(2-chloro-6-fluorophenyl)methoxy]-2-(2-methylpropyl)phenyl]methanol?
The canonical SMILES for [5-[(2-chloro-6-fluorophenyl)methoxy]-2-(2-methylpropyl)phenyl]methanol is CC(C)Cc1ccc(OCc2c(F)cccc2Cl)cc1CO.
What is the InChIKey of [5-[(2-chloro-6-fluorophenyl)methoxy]-2-(2-methylpropyl)phenyl]methanol?
The InChIKey is HMUVKQNAQVEXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFO2/c1-12(2)8-13-6-7-15(9-14(13)10-21)22-11-16-17(19)4-3-5-18(16)20/h3-7,9,12,21H,8,10-11H2,1-2H3.
What are the key properties of [5-[(2-chloro-6-fluorophenyl)methoxy]-2-(2-methylpropyl)phenyl]methanol?
[5-[(2-chloro-6-fluorophenyl)methoxy]-2-(2-methylpropyl)phenyl]methanol has a molecular weight of 322.81 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-chloro-6-fluorophenyl)methoxy]-2-(2-methylpropyl)phenyl]methanol is sourced from PubChem (CID 178141229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).