1-(2-chloro-4-fluorophenyl)-4-(4-methoxyphenyl)butan-2-ol

C17H18ClFO2 — CID 65444557

IUPAC1-(2-chloro-4-fluorophenyl)-4-(4-methoxyphenyl)butan-2-ol
SMILESCOc1ccc(CCC(O)Cc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C17H18ClFO2/c1-21-16-8-3-12(4-9-16)2-7-15(20)10-13-5-6-14(19)11-17(13)18/h3-6,8-9,11,15,20H,2,7,10H2,1H3
InChIKeyACLDKGZOWPEKQR-UHFFFAOYSA-N
MW308.78 g/mol
LogP4.02
Rot. Bonds6

About 1-(2-chloro-4-fluorophenyl)-4-(4-methoxyphenyl)butan-2-ol

1-(2-chloro-4-fluorophenyl)-4-(4-methoxyphenyl)butan-2-ol (PubChem CID 65444557) has the molecular formula C17H18ClFO2 and a molecular weight of 308.78 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-4-(4-methoxyphenyl)butan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-4-(4-methoxyphenyl)butan-2-ol
PubChem CID65444557
Molecular FormulaC17H18ClFO2
Molecular Weight308.78 g/mol
Exact Mass308.10
IUPAC Name1-(2-chloro-4-fluorophenyl)-4-(4-methoxyphenyl)butan-2-ol
SMILESCOc1ccc(CCC(O)Cc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C17H18ClFO2/c1-21-16-8-3-12(4-9-16)2-7-15(20)10-13-5-6-14(19)11-17(13)18/h3-6,8-9,11,15,20H,2,7,10H2,1H3
InChIKeyACLDKGZOWPEKQR-UHFFFAOYSA-N
XLogP4.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.78
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dichlorophenyl)-4-(4-methoxyphenyl)butan-2-ol
CID 107312517
1-(2-chloro-4-fluorophenyl)pentan-2-ol
CID 62607073
(2S)-1-(2-chloro-4-fluorophenyl)pentan-2-ol
CID 94505356
[1-(2-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)propan-2-yl]hydrazine
CID 105205338
1-(2-chloro-4-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 63035603
1-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 62605970
1-(2-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)ethanol
CID 63017689
1-(2-chloro-4-fluorophenyl)dodecan-2-ol
CID 63410954
1-(2-chlorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61373626
1-(2-chloro-4-fluorophenyl)-4-(diethylamino)butan-2-ol
CID 79086787
1-(2-chloro-4-fluorophenyl)-5-methylsulfanylpentan-2-ol
CID 103089856
2-chloro-4-fluoro-1-[(4-methoxyphenoxy)methyl]benzene
CID 112788881

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-4-(4-methoxyphenyl)butan-2-ol?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-4-(4-methoxyphenyl)butan-2-ol (CID 65444557) is 1-(2-chloro-4-fluorophenyl)-4-(4-methoxyphenyl)butan-2-ol.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-4-(4-methoxyphenyl)butan-2-ol?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-4-(4-methoxyphenyl)butan-2-ol is COc1ccc(CCC(O)Cc2ccc(F)cc2Cl)cc1.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-4-(4-methoxyphenyl)butan-2-ol?
The InChIKey is ACLDKGZOWPEKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFO2/c1-21-16-8-3-12(4-9-16)2-7-15(20)10-13-5-6-14(19)11-17(13)18/h3-6,8-9,11,15,20H,2,7,10H2,1H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-4-(4-methoxyphenyl)butan-2-ol?
1-(2-chloro-4-fluorophenyl)-4-(4-methoxyphenyl)butan-2-ol has a molecular weight of 308.78 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-4-(4-methoxyphenyl)butan-2-ol is sourced from PubChem (CID 65444557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).