(3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methanol

C14H16O4S — CID 115821638

IUPAC(3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methanol
SMILESCOc1cc(OC)cc(C(O)c2cc(OC)cs2)c1
InChIInChI=1S/C14H16O4S/c1-16-10-4-9(5-11(6-10)17-2)14(15)13-7-12(18-3)8-19-13/h4-8,14-15H,1-3H3
InChIKeyYHPSJIPFCSXRSH-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.86
Rot. Bonds5

About (3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methanol

(3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methanol (PubChem CID 115821638) has the molecular formula C14H16O4S and a molecular weight of 280.35 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methanol.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methanol
PubChem CID115821638
Molecular FormulaC14H16O4S
Molecular Weight280.35 g/mol
Exact Mass280.08
IUPAC Name(3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methanol
SMILESCOc1cc(OC)cc(C(O)c2cc(OC)cs2)c1
InChIInChI=1S/C14H16O4S/c1-16-10-4-9(5-11(6-10)17-2)14(15)13-7-12(18-3)8-19-13/h4-8,14-15H,1-3H3
InChIKeyYHPSJIPFCSXRSH-UHFFFAOYSA-N
XLogP2.86
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxy-3,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanol
CID 83068716
(4-methoxythiophen-2-yl)-thiophen-3-ylmethanol
CID 115805532
(6-methoxynaphthalen-2-yl)-(4-methoxythiophen-2-yl)methanol
CID 81119910
(4-methoxythiophen-2-yl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 81119806
1-(4-methoxythiophen-2-yl)ethanol
CID 115840733
(3-fluorophenyl)-(4-methoxythiophen-2-yl)methanol
CID 114978494
(3-chlorophenyl)-(4-methoxythiophen-2-yl)methanol
CID 114982389
(4-methoxy-2-methylphenyl)-(4-methoxythiophen-2-yl)methanol
CID 81118539
(4-methoxythiophen-2-yl)-(1-methylpyrazol-4-yl)methanol
CID 114981729
(4-bromo-2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanol
CID 81123973
[3-fluoro-4-(trifluoromethyl)phenyl]-(4-methoxythiophen-2-yl)methanol
CID 107292011
N-[(3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 105013677

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methanol?
The IUPAC name of (3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methanol (CID 115821638) is (3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methanol.
What is the SMILES notation for (3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methanol?
The canonical SMILES for (3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methanol is COc1cc(OC)cc(C(O)c2cc(OC)cs2)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methanol?
The InChIKey is YHPSJIPFCSXRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4S/c1-16-10-4-9(5-11(6-10)17-2)14(15)13-7-12(18-3)8-19-13/h4-8,14-15H,1-3H3.
What are the key properties of (3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methanol?
(3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methanol has a molecular weight of 280.35 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methanol is sourced from PubChem (CID 115821638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).