[4-(4-chloro-3,5-dimethylphenoxy)-3-fluorophenyl]methanol

C15H14ClFO2 — CID 43369995

IUPAC[4-(4-chloro-3,5-dimethylphenoxy)-3-fluorophenyl]methanol
SMILESCc1cc(Oc2ccc(CO)cc2F)cc(C)c1Cl
InChIInChI=1S/C15H14ClFO2/c1-9-5-12(6-10(2)15(9)16)19-14-4-3-11(8-18)7-13(14)17/h3-7,18H,8H2,1-2H3
InChIKeyGAAQDTBZWFIOIV-UHFFFAOYSA-N
MW280.73 g/mol
LogP4.38
Rot. Bonds3

About [4-(4-chloro-3,5-dimethylphenoxy)-3-fluorophenyl]methanol

[4-(4-chloro-3,5-dimethylphenoxy)-3-fluorophenyl]methanol (PubChem CID 43369995) has the molecular formula C15H14ClFO2 and a molecular weight of 280.73 g/mol. Its IUPAC name is [4-(4-chloro-3,5-dimethylphenoxy)-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[4-(4-chloro-3,5-dimethylphenoxy)-3-fluorophenyl]methanol
PubChem CID43369995
Molecular FormulaC15H14ClFO2
Molecular Weight280.73 g/mol
Exact Mass280.07
IUPAC Name[4-(4-chloro-3,5-dimethylphenoxy)-3-fluorophenyl]methanol
SMILESCc1cc(Oc2ccc(CO)cc2F)cc(C)c1Cl
InChIInChI=1S/C15H14ClFO2/c1-9-5-12(6-10(2)15(9)16)19-14-4-3-11(8-18)7-13(14)17/h3-7,18H,8H2,1-2H3
InChIKeyGAAQDTBZWFIOIV-UHFFFAOYSA-N
XLogP4.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(3,5-difluorophenoxy)-3-fluorophenyl]methanol
CID 55112239
[4-(4-chloro-3-fluorophenoxy)-3-fluorophenyl]methanol
CID 82716427
[4-(3,4-dichlorophenoxy)-3-fluorophenyl]methanol
CID 54898336
(3-fluoro-4-phenoxyphenyl)methanol
CID 28946102
(1R)-1-[4-(4-chloro-3,5-dimethylphenoxy)-3-fluorophenyl]ethanol
CID 78944838
[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methanol
CID 62074951
[3-fluoro-4-(3-fluorophenoxy)phenyl]methanol
CID 28946122
[4-(3-ethylphenoxy)-3-fluorophenyl]methanol
CID 28945816
[4-(4-bromo-3-fluorophenoxy)-3-fluorophenyl]methanol
CID 65201220
[4-(4-chloro-2-methylphenoxy)phenyl]methanol
CID 28946141
[4-[4-(aminomethyl)-2-fluorophenoxy]phenyl]methanol
CID 61227389
[3-fluoro-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]methanol
CID 63540052

Frequently Asked Questions

What is the IUPAC name of [4-(4-chloro-3,5-dimethylphenoxy)-3-fluorophenyl]methanol?
The IUPAC name of [4-(4-chloro-3,5-dimethylphenoxy)-3-fluorophenyl]methanol (CID 43369995) is [4-(4-chloro-3,5-dimethylphenoxy)-3-fluorophenyl]methanol.
What is the SMILES notation for [4-(4-chloro-3,5-dimethylphenoxy)-3-fluorophenyl]methanol?
The canonical SMILES for [4-(4-chloro-3,5-dimethylphenoxy)-3-fluorophenyl]methanol is Cc1cc(Oc2ccc(CO)cc2F)cc(C)c1Cl.
What is the InChIKey of [4-(4-chloro-3,5-dimethylphenoxy)-3-fluorophenyl]methanol?
The InChIKey is GAAQDTBZWFIOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFO2/c1-9-5-12(6-10(2)15(9)16)19-14-4-3-11(8-18)7-13(14)17/h3-7,18H,8H2,1-2H3.
What are the key properties of [4-(4-chloro-3,5-dimethylphenoxy)-3-fluorophenyl]methanol?
[4-(4-chloro-3,5-dimethylphenoxy)-3-fluorophenyl]methanol has a molecular weight of 280.73 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chloro-3,5-dimethylphenoxy)-3-fluorophenyl]methanol is sourced from PubChem (CID 43369995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).