[4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethylphenyl]methanol

C14H15ClO2S — CID 28933274

IUPAC[4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethylphenyl]methanol
SMILESCc1cc(CO)cc(C)c1OCc1ccc(Cl)s1
InChIInChI=1S/C14H15ClO2S/c1-9-5-11(7-16)6-10(2)14(9)17-8-12-3-4-13(15)18-12/h3-6,16H,7-8H2,1-2H3
InChIKeyLLORTKQIRBTIAG-UHFFFAOYSA-N
MW282.79 g/mol
LogP4.09
Rot. Bonds4

About [4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethylphenyl]methanol

[4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethylphenyl]methanol (PubChem CID 28933274) has the molecular formula C14H15ClO2S and a molecular weight of 282.79 g/mol. Its IUPAC name is [4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethylphenyl]methanol.

Molecular Properties

Compound Name[4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethylphenyl]methanol
PubChem CID28933274
Molecular FormulaC14H15ClO2S
Molecular Weight282.79 g/mol
Exact Mass282.05
IUPAC Name[4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethylphenyl]methanol
SMILESCc1cc(CO)cc(C)c1OCc1ccc(Cl)s1
InChIInChI=1S/C14H15ClO2S/c1-9-5-11(7-16)6-10(2)14(9)17-8-12-3-4-13(15)18-12/h3-6,16H,7-8H2,1-2H3
InChIKeyLLORTKQIRBTIAG-UHFFFAOYSA-N
XLogP4.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.79
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethylphenyl]methyl]ethanamine
CID 63500605
4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethylbenzenecarboximidamide
CID 65472321
[4-[(3-chlorophenyl)methoxy]-3,5-dimethylphenyl]methanol
CID 28933245
[5-bromo-2-[(5-chlorothiophen-2-yl)methoxy]-3-methylphenyl]methanamine
CID 112619743
2-chloro-5-[[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]methyl]thiophene
CID 28898512
1-[3,5-dibromo-4-[(5-chlorothiophen-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 107741708
2-[[2-(bromomethyl)-6-methylphenoxy]methyl]-5-chlorothiophene
CID 112614144
[4-[(5-bromothiophen-2-yl)methoxy]-3,5-dimethylphenyl]methanamine
CID 60880164
[4-[(3,5-difluorophenyl)methoxy]-3,5-dimethylphenyl]methanol
CID 105404106
1-[4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethoxyphenyl]-N-methylmethanamine
CID 60889448
[3,5-dimethyl-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanol
CID 28933165
[4-[(5-fluoro-2-methylphenyl)methoxy]-3,5-dimethylphenyl]methanol
CID 105372055

Frequently Asked Questions

What is the IUPAC name of [4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethylphenyl]methanol?
The IUPAC name of [4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethylphenyl]methanol (CID 28933274) is [4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethylphenyl]methanol.
What is the SMILES notation for [4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethylphenyl]methanol?
The canonical SMILES for [4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethylphenyl]methanol is Cc1cc(CO)cc(C)c1OCc1ccc(Cl)s1.
What is the InChIKey of [4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethylphenyl]methanol?
The InChIKey is LLORTKQIRBTIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClO2S/c1-9-5-11(7-16)6-10(2)14(9)17-8-12-3-4-13(15)18-12/h3-6,16H,7-8H2,1-2H3.
What are the key properties of [4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethylphenyl]methanol?
[4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethylphenyl]methanol has a molecular weight of 282.79 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethylphenyl]methanol is sourced from PubChem (CID 28933274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).