(3,5-dichlorophenyl)-(5-methylthiophen-3-yl)methanol

C12H10Cl2OS — CID 65099738

IUPAC(3,5-dichlorophenyl)-(5-methylthiophen-3-yl)methanol
SMILESCc1cc(C(O)c2cc(Cl)cc(Cl)c2)cs1
InChIInChI=1S/C12H10Cl2OS/c1-7-2-9(6-16-7)12(15)8-3-10(13)5-11(14)4-8/h2-6,12,15H,1H3
InChIKeyUYACKSZPEHUECI-UHFFFAOYSA-N
MW273.18 g/mol
LogP4.45
Rot. Bonds2

About (3,5-dichlorophenyl)-(5-methylthiophen-3-yl)methanol

(3,5-dichlorophenyl)-(5-methylthiophen-3-yl)methanol (PubChem CID 65099738) has the molecular formula C12H10Cl2OS and a molecular weight of 273.18 g/mol. Its IUPAC name is (3,5-dichlorophenyl)-(5-methylthiophen-3-yl)methanol.

Molecular Properties

Compound Name(3,5-dichlorophenyl)-(5-methylthiophen-3-yl)methanol
PubChem CID65099738
Molecular FormulaC12H10Cl2OS
Molecular Weight273.18 g/mol
Exact Mass271.98
IUPAC Name(3,5-dichlorophenyl)-(5-methylthiophen-3-yl)methanol
SMILESCc1cc(C(O)c2cc(Cl)cc(Cl)c2)cs1
InChIInChI=1S/C12H10Cl2OS/c1-7-2-9(6-16-7)12(15)8-3-10(13)5-11(14)4-8/h2-6,12,15H,1H3
InChIKeyUYACKSZPEHUECI-UHFFFAOYSA-N
XLogP4.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.18
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-3-methylphenyl)-(5-methylthiophen-3-yl)methanol
CID 115807784
(3-chloro-4,5-dimethoxyphenyl)-(5-methylthiophen-3-yl)methanol
CID 65099476
(3,4-dimethylphenyl)-(5-methylthiophen-3-yl)methanol
CID 65100079
(4-fluoro-3-methylphenyl)-(5-methylthiophen-3-yl)methanol
CID 65099619
(3-methylphenyl)-(5-methylthiophen-3-yl)methanol
CID 65099789
(1R)-1-(5-methylthiophen-3-yl)ethanol
CID 131209035
(5-methylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanol
CID 65099676
(2-methyl-4-pyridinyl)-(5-methylthiophen-3-yl)methanol
CID 106756231
(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(5-methylthiophen-3-yl)methanol
CID 65099963
(3-fluorophenyl)-(5-methylthiophen-3-yl)methanol
CID 65099498
(3-bromophenyl)-(5-methylthiophen-3-yl)methanol
CID 65099273
(5-methylthiophen-2-yl)-(5-methylthiophen-3-yl)methanol
CID 65099731

Frequently Asked Questions

What is the IUPAC name of (3,5-dichlorophenyl)-(5-methylthiophen-3-yl)methanol?
The IUPAC name of (3,5-dichlorophenyl)-(5-methylthiophen-3-yl)methanol (CID 65099738) is (3,5-dichlorophenyl)-(5-methylthiophen-3-yl)methanol.
What is the SMILES notation for (3,5-dichlorophenyl)-(5-methylthiophen-3-yl)methanol?
The canonical SMILES for (3,5-dichlorophenyl)-(5-methylthiophen-3-yl)methanol is Cc1cc(C(O)c2cc(Cl)cc(Cl)c2)cs1.
What is the InChIKey of (3,5-dichlorophenyl)-(5-methylthiophen-3-yl)methanol?
The InChIKey is UYACKSZPEHUECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2OS/c1-7-2-9(6-16-7)12(15)8-3-10(13)5-11(14)4-8/h2-6,12,15H,1H3.
What are the key properties of (3,5-dichlorophenyl)-(5-methylthiophen-3-yl)methanol?
(3,5-dichlorophenyl)-(5-methylthiophen-3-yl)methanol has a molecular weight of 273.18 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichlorophenyl)-(5-methylthiophen-3-yl)methanol is sourced from PubChem (CID 65099738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).