1-(2-chloro-6-fluorophenyl)-4-(4-methylphenyl)butan-2-ol

C17H18ClFO — CID 63018783

IUPAC1-(2-chloro-6-fluorophenyl)-4-(4-methylphenyl)butan-2-ol
SMILESCc1ccc(CCC(O)Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C17H18ClFO/c1-12-5-7-13(8-6-12)9-10-14(20)11-15-16(18)3-2-4-17(15)19/h2-8,14,20H,9-11H2,1H3
InChIKeyIMNGOWMEEKSCGM-UHFFFAOYSA-N
MW292.78 g/mol
LogP4.32
Rot. Bonds5

About 1-(2-chloro-6-fluorophenyl)-4-(4-methylphenyl)butan-2-ol

1-(2-chloro-6-fluorophenyl)-4-(4-methylphenyl)butan-2-ol (PubChem CID 63018783) has the molecular formula C17H18ClFO and a molecular weight of 292.78 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-4-(4-methylphenyl)butan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-4-(4-methylphenyl)butan-2-ol
PubChem CID63018783
Molecular FormulaC17H18ClFO
Molecular Weight292.78 g/mol
Exact Mass292.10
IUPAC Name1-(2-chloro-6-fluorophenyl)-4-(4-methylphenyl)butan-2-ol
SMILESCc1ccc(CCC(O)Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C17H18ClFO/c1-12-5-7-13(8-6-12)9-10-14(20)11-15-16(18)3-2-4-17(15)19/h2-8,14,20H,9-11H2,1H3
InChIKeyIMNGOWMEEKSCGM-UHFFFAOYSA-N
XLogP4.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.78
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-4-(4-methylphenyl)butan-2-ol?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-4-(4-methylphenyl)butan-2-ol (CID 63018783) is 1-(2-chloro-6-fluorophenyl)-4-(4-methylphenyl)butan-2-ol.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-4-(4-methylphenyl)butan-2-ol?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-4-(4-methylphenyl)butan-2-ol is Cc1ccc(CCC(O)Cc2c(F)cccc2Cl)cc1.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-4-(4-methylphenyl)butan-2-ol?
The InChIKey is IMNGOWMEEKSCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFO/c1-12-5-7-13(8-6-12)9-10-14(20)11-15-16(18)3-2-4-17(15)19/h2-8,14,20H,9-11H2,1H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-4-(4-methylphenyl)butan-2-ol?
1-(2-chloro-6-fluorophenyl)-4-(4-methylphenyl)butan-2-ol has a molecular weight of 292.78 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-4-(4-methylphenyl)butan-2-ol is sourced from PubChem (CID 63018783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).