(3-chloro-4,5-dimethoxyphenyl)-(5-methylthiophen-3-yl)methanol

C14H15ClO3S — CID 65099476

IUPAC(3-chloro-4,5-dimethoxyphenyl)-(5-methylthiophen-3-yl)methanol
SMILESCOc1cc(C(O)c2csc(C)c2)cc(Cl)c1OC
InChIInChI=1S/C14H15ClO3S/c1-8-4-10(7-19-8)13(16)9-5-11(15)14(18-3)12(6-9)17-2/h4-7,13,16H,1-3H3
InChIKeyBCFQLRRCEOHUDR-UHFFFAOYSA-N
MW298.79 g/mol
LogP3.81
Rot. Bonds4

About (3-chloro-4,5-dimethoxyphenyl)-(5-methylthiophen-3-yl)methanol

(3-chloro-4,5-dimethoxyphenyl)-(5-methylthiophen-3-yl)methanol (PubChem CID 65099476) has the molecular formula C14H15ClO3S and a molecular weight of 298.79 g/mol. Its IUPAC name is (3-chloro-4,5-dimethoxyphenyl)-(5-methylthiophen-3-yl)methanol.

Molecular Properties

Compound Name(3-chloro-4,5-dimethoxyphenyl)-(5-methylthiophen-3-yl)methanol
PubChem CID65099476
Molecular FormulaC14H15ClO3S
Molecular Weight298.79 g/mol
Exact Mass298.04
IUPAC Name(3-chloro-4,5-dimethoxyphenyl)-(5-methylthiophen-3-yl)methanol
SMILESCOc1cc(C(O)c2csc(C)c2)cc(Cl)c1OC
InChIInChI=1S/C14H15ClO3S/c1-8-4-10(7-19-8)13(16)9-5-11(15)14(18-3)12(6-9)17-2/h4-7,13,16H,1-3H3
InChIKeyBCFQLRRCEOHUDR-UHFFFAOYSA-N
XLogP3.81
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine
CID 65105134
(3,5-dichlorophenyl)-(5-methylthiophen-3-yl)methanol
CID 65099738
(3-chloro-4,5-dimethoxyphenyl)-(3-methoxyphenyl)methanol
CID 60955788
(3-fluoro-4-methoxyphenyl)-(5-methylthiophen-3-yl)methanol
CID 65099686
(3-chloro-4,5-dimethoxyphenyl)-(furan-2-yl)methanol
CID 63947956
(4-chloro-3-methylphenyl)-(5-methylthiophen-3-yl)methanol
CID 115807784
2-(4-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethanol
CID 62608419
(3-chloro-4,5-dimethoxyphenyl)-(2,4-difluorophenyl)methanol
CID 62800710
(4-bromo-2-methoxyphenyl)-(5-methylthiophen-3-yl)methanol
CID 115807569
(3,4-dimethylphenyl)-(5-methylthiophen-3-yl)methanol
CID 65100079
(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(5-methylthiophen-3-yl)methanol
CID 65099963
(5-bromothiophen-3-yl)-(4-methoxy-3,5-dimethylphenyl)methanol
CID 107964365

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4,5-dimethoxyphenyl)-(5-methylthiophen-3-yl)methanol?
The IUPAC name of (3-chloro-4,5-dimethoxyphenyl)-(5-methylthiophen-3-yl)methanol (CID 65099476) is (3-chloro-4,5-dimethoxyphenyl)-(5-methylthiophen-3-yl)methanol.
What is the SMILES notation for (3-chloro-4,5-dimethoxyphenyl)-(5-methylthiophen-3-yl)methanol?
The canonical SMILES for (3-chloro-4,5-dimethoxyphenyl)-(5-methylthiophen-3-yl)methanol is COc1cc(C(O)c2csc(C)c2)cc(Cl)c1OC.
What is the InChIKey of (3-chloro-4,5-dimethoxyphenyl)-(5-methylthiophen-3-yl)methanol?
The InChIKey is BCFQLRRCEOHUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClO3S/c1-8-4-10(7-19-8)13(16)9-5-11(15)14(18-3)12(6-9)17-2/h4-7,13,16H,1-3H3.
What are the key properties of (3-chloro-4,5-dimethoxyphenyl)-(5-methylthiophen-3-yl)methanol?
(3-chloro-4,5-dimethoxyphenyl)-(5-methylthiophen-3-yl)methanol has a molecular weight of 298.79 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4,5-dimethoxyphenyl)-(5-methylthiophen-3-yl)methanol is sourced from PubChem (CID 65099476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).