1-(5-chloro-2-methoxyphenyl)-2-(2-fluorophenyl)butan-2-ol

C17H18ClFO2 — CID 115996259

IUPAC1-(5-chloro-2-methoxyphenyl)-2-(2-fluorophenyl)butan-2-ol
SMILESCCC(O)(Cc1cc(Cl)ccc1OC)c1ccccc1F
InChIInChI=1S/C17H18ClFO2/c1-3-17(20,14-6-4-5-7-15(14)19)11-12-10-13(18)8-9-16(12)21-2/h4-10,20H,3,11H2,1-2H3
InChIKeyYIGKJTRNBCJJRC-UHFFFAOYSA-N
MW308.78 g/mol
LogP4.33
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)-2-(2-fluorophenyl)butan-2-ol

1-(5-chloro-2-methoxyphenyl)-2-(2-fluorophenyl)butan-2-ol (PubChem CID 115996259) has the molecular formula C17H18ClFO2 and a molecular weight of 308.78 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-2-(2-fluorophenyl)butan-2-ol.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-2-(2-fluorophenyl)butan-2-ol
PubChem CID115996259
Molecular FormulaC17H18ClFO2
Molecular Weight308.78 g/mol
Exact Mass308.10
IUPAC Name1-(5-chloro-2-methoxyphenyl)-2-(2-fluorophenyl)butan-2-ol
SMILESCCC(O)(Cc1cc(Cl)ccc1OC)c1ccccc1F
InChIInChI=1S/C17H18ClFO2/c1-3-17(20,14-6-4-5-7-15(14)19)11-12-10-13(18)8-9-16(12)21-2/h4-10,20H,3,11H2,1-2H3
InChIKeyYIGKJTRNBCJJRC-UHFFFAOYSA-N
XLogP4.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.78
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-2-(2-fluorophenyl)propan-2-amine
CID 62622550
1-(5-chloro-2-methoxyphenyl)-1-(2-fluorophenyl)ethanol
CID 62788121
1-(2,3-dichlorophenyl)-2-(2-fluorophenyl)butan-2-ol
CID 107307633
1-(5-chloro-2-methoxyphenyl)-2-(2-methoxyphenyl)propan-2-amine
CID 62620710
1-(2,3-difluorophenyl)-2-(2-fluorophenyl)butan-2-ol
CID 115996284
1-(5-chloro-2-methoxyphenyl)-2-methylpentan-2-ol
CID 80557519
1-(5-bromo-2-methoxyphenyl)-2-(2-fluorophenyl)butan-2-amine
CID 115996356
1-(5-chloro-2-fluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 103047475
1-(2,6-difluorophenyl)-2-(2-fluorophenyl)butan-2-ol
CID 114931152
1-(5-chloro-2-methoxyphenyl)-2,3-dimethylpentan-2-ol
CID 65146328
2-[(5-chloro-2-methoxyphenyl)methyl]-2-ethylhexan-1-ol
CID 66059544
2-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpropane-1,3-diol
CID 79016756

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-(2-fluorophenyl)butan-2-ol?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-(2-fluorophenyl)butan-2-ol (CID 115996259) is 1-(5-chloro-2-methoxyphenyl)-2-(2-fluorophenyl)butan-2-ol.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-2-(2-fluorophenyl)butan-2-ol?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-2-(2-fluorophenyl)butan-2-ol is CCC(O)(Cc1cc(Cl)ccc1OC)c1ccccc1F.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-2-(2-fluorophenyl)butan-2-ol?
The InChIKey is YIGKJTRNBCJJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFO2/c1-3-17(20,14-6-4-5-7-15(14)19)11-12-10-13(18)8-9-16(12)21-2/h4-10,20H,3,11H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-2-(2-fluorophenyl)butan-2-ol?
1-(5-chloro-2-methoxyphenyl)-2-(2-fluorophenyl)butan-2-ol has a molecular weight of 308.78 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-2-(2-fluorophenyl)butan-2-ol is sourced from PubChem (CID 115996259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).