4-[4-(4-chloro-2-methoxyphenyl)thiophen-3-yl]phenol

C17H13ClO2S — CID 67255854

IUPAC4-[4-(4-chloro-2-methoxyphenyl)thiophen-3-yl]phenol
SMILESCOc1cc(Cl)ccc1-c1cscc1-c1ccc(O)cc1
InChIInChI=1S/C17H13ClO2S/c1-20-17-8-12(18)4-7-14(17)16-10-21-9-15(16)11-2-5-13(19)6-3-11/h2-10,19H,1H3
InChIKeyGIODVJLBSYUWGF-UHFFFAOYSA-N
MW316.81 g/mol
LogP5.45
Rot. Bonds3

About 4-[4-(4-chloro-2-methoxyphenyl)thiophen-3-yl]phenol

4-[4-(4-chloro-2-methoxyphenyl)thiophen-3-yl]phenol (PubChem CID 67255854) has the molecular formula C17H13ClO2S and a molecular weight of 316.81 g/mol. Its IUPAC name is 4-[4-(4-chloro-2-methoxyphenyl)thiophen-3-yl]phenol.

Molecular Properties

Compound Name4-[4-(4-chloro-2-methoxyphenyl)thiophen-3-yl]phenol
PubChem CID67255854
Molecular FormulaC17H13ClO2S
Molecular Weight316.81 g/mol
Exact Mass316.03
IUPAC Name4-[4-(4-chloro-2-methoxyphenyl)thiophen-3-yl]phenol
SMILESCOc1cc(Cl)ccc1-c1cscc1-c1ccc(O)cc1
InChIInChI=1S/C17H13ClO2S/c1-20-17-8-12(18)4-7-14(17)16-10-21-9-15(16)11-2-5-13(19)6-3-11/h2-10,19H,1H3
InChIKeyGIODVJLBSYUWGF-UHFFFAOYSA-N
XLogP5.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.81
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(4-chloro-2-methoxyphenyl)thiophen-3-yl]benzonitrile
CID 67255311
3-[4-(4-chloro-2-methoxyphenyl)-3-(4-hydroxyphenyl)thiophen-2-yl]propanoic acid
CID 53252468
(E)-3-[4-(4-chloro-2-methoxyphenyl)-3-(4-hydroxyphenyl)thiophen-2-yl]prop-2-enoic acid
CID 67257167
2,4-dichloro-1-(4-chloro-2-methoxyphenyl)benzene
CID 70266325
3-(4-chloro-2-methoxyphenyl)-5-methylphenol
CID 53219061
4-(4-chloro-2-methoxy-5-methylphenyl)phenol
CID 82039616
6-(4-chloro-2-methoxyphenyl)pyridin-3-ol
CID 53229509
3-(4-chloro-2-methoxyphenyl)-5-methyl-1H-pyrrole-2,4-diol
CID 91392778
4-(4-chloro-2-methoxyphenyl)pyridin-1-ium
CID 143833713
4-(4-chloro-2-fluorophenyl)phenol
CID 83128689
1-(4-chloro-2-methoxyphenyl)-2,3,4,5,6-pentafluorobenzene
CID 118805876
1-(4-chloro-2-methoxyphenyl)-5-(2-methoxyphenyl)naphthalene
CID 118027696

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chloro-2-methoxyphenyl)thiophen-3-yl]phenol?
The IUPAC name of 4-[4-(4-chloro-2-methoxyphenyl)thiophen-3-yl]phenol (CID 67255854) is 4-[4-(4-chloro-2-methoxyphenyl)thiophen-3-yl]phenol.
What is the SMILES notation for 4-[4-(4-chloro-2-methoxyphenyl)thiophen-3-yl]phenol?
The canonical SMILES for 4-[4-(4-chloro-2-methoxyphenyl)thiophen-3-yl]phenol is COc1cc(Cl)ccc1-c1cscc1-c1ccc(O)cc1.
What is the InChIKey of 4-[4-(4-chloro-2-methoxyphenyl)thiophen-3-yl]phenol?
The InChIKey is GIODVJLBSYUWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClO2S/c1-20-17-8-12(18)4-7-14(17)16-10-21-9-15(16)11-2-5-13(19)6-3-11/h2-10,19H,1H3.
What are the key properties of 4-[4-(4-chloro-2-methoxyphenyl)thiophen-3-yl]phenol?
4-[4-(4-chloro-2-methoxyphenyl)thiophen-3-yl]phenol has a molecular weight of 316.81 g/mol, XLogP of 5.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chloro-2-methoxyphenyl)thiophen-3-yl]phenol is sourced from PubChem (CID 67255854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).