1-(2-chloro-6-fluorophenyl)-2-(5-methylthiophen-2-yl)propan-2-ol

C14H14ClFOS — CID 114910484

IUPAC1-(2-chloro-6-fluorophenyl)-2-(5-methylthiophen-2-yl)propan-2-ol
SMILESCc1ccc(C(C)(O)Cc2c(F)cccc2Cl)s1
InChIInChI=1S/C14H14ClFOS/c1-9-6-7-13(18-9)14(2,17)8-10-11(15)4-3-5-12(10)16/h3-7,17H,8H2,1-2H3
InChIKeyFZBUPIJEIUFBRE-UHFFFAOYSA-N
MW284.78 g/mol
LogP4.30
Rot. Bonds3

About 1-(2-chloro-6-fluorophenyl)-2-(5-methylthiophen-2-yl)propan-2-ol

1-(2-chloro-6-fluorophenyl)-2-(5-methylthiophen-2-yl)propan-2-ol (PubChem CID 114910484) has the molecular formula C14H14ClFOS and a molecular weight of 284.78 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-2-(5-methylthiophen-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-2-(5-methylthiophen-2-yl)propan-2-ol
PubChem CID114910484
Molecular FormulaC14H14ClFOS
Molecular Weight284.78 g/mol
Exact Mass284.04
IUPAC Name1-(2-chloro-6-fluorophenyl)-2-(5-methylthiophen-2-yl)propan-2-ol
SMILESCc1ccc(C(C)(O)Cc2c(F)cccc2Cl)s1
InChIInChI=1S/C14H14ClFOS/c1-9-6-7-13(18-9)14(2,17)8-10-11(15)4-3-5-12(10)16/h3-7,17H,8H2,1-2H3
InChIKeyFZBUPIJEIUFBRE-UHFFFAOYSA-N
XLogP4.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.78
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-6-fluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 61496162
4-[1-(2-chloro-6-fluorophenyl)-2-hydroxypropan-2-yl]phenol
CID 83075778
2-(4-bromophenyl)-1-(2-chloro-6-fluorophenyl)propan-2-ol
CID 63406670
1-(2-chloro-4-fluorophenyl)-2-(5-methylthiophen-2-yl)propan-2-ol
CID 114910605
2-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-5-methylthiophene
CID 63435833
3,3-bis[(2-chloro-6-fluorophenyl)methyl]pentane-2,4-dione
CID 1488014
1-(2-chloro-6-fluorophenyl)-2-methylhex-5-en-2-ol
CID 104656406
1-(2,6-difluorophenyl)-2-phenylpropan-2-ol
CID 114930959
4-(2-chloro-6-fluorophenyl)-2-methylbutan-2-amine
CID 82113720
1-(2,6-dichlorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
CID 114832731
1-(2-chloro-6-fluorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-amine
CID 63408416
(2S)-2-(aminomethyl)-3-(2-chloro-6-fluorophenyl)-2-methylpropanoic acid
CID 42329945

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-2-(5-methylthiophen-2-yl)propan-2-ol?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-2-(5-methylthiophen-2-yl)propan-2-ol (CID 114910484) is 1-(2-chloro-6-fluorophenyl)-2-(5-methylthiophen-2-yl)propan-2-ol.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-2-(5-methylthiophen-2-yl)propan-2-ol?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-2-(5-methylthiophen-2-yl)propan-2-ol is Cc1ccc(C(C)(O)Cc2c(F)cccc2Cl)s1.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-2-(5-methylthiophen-2-yl)propan-2-ol?
The InChIKey is FZBUPIJEIUFBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFOS/c1-9-6-7-13(18-9)14(2,17)8-10-11(15)4-3-5-12(10)16/h3-7,17H,8H2,1-2H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-2-(5-methylthiophen-2-yl)propan-2-ol?
1-(2-chloro-6-fluorophenyl)-2-(5-methylthiophen-2-yl)propan-2-ol has a molecular weight of 284.78 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-2-(5-methylthiophen-2-yl)propan-2-ol is sourced from PubChem (CID 114910484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).