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

C15H18O3S — CID 61089487

IUPAC(2,4-dimethoxyphenyl)-(2,5-dimethylthiophen-3-yl)methanol
SMILESCOc1ccc(C(O)c2cc(C)sc2C)c(OC)c1
InChIInChI=1S/C15H18O3S/c1-9-7-13(10(2)19-9)15(16)12-6-5-11(17-3)8-14(12)18-4/h5-8,15-16H,1-4H3
InChIKeyFXRQGFZETONBDV-UHFFFAOYSA-N
MW278.37 g/mol
LogP3.46
Rot. Bonds4

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

(2,4-dimethoxyphenyl)-(2,5-dimethylthiophen-3-yl)methanol (PubChem CID 61089487) has the molecular formula C15H18O3S and a molecular weight of 278.37 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-(2,5-dimethylthiophen-3-yl)methanol.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-(2,5-dimethylthiophen-3-yl)methanol
PubChem CID61089487
Molecular FormulaC15H18O3S
Molecular Weight278.37 g/mol
Exact Mass278.10
IUPAC Name(2,4-dimethoxyphenyl)-(2,5-dimethylthiophen-3-yl)methanol
SMILESCOc1ccc(C(O)c2cc(C)sc2C)c(OC)c1
InChIInChI=1S/C15H18O3S/c1-9-7-13(10(2)19-9)15(16)12-6-5-11(17-3)8-14(12)18-4/h5-8,15-16H,1-4H3
InChIKeyFXRQGFZETONBDV-UHFFFAOYSA-N
XLogP3.46
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-dimethoxyphenyl)-(2-methylfuran-3-yl)methanol
CID 61086779
(R)-(3-amino-2-methylphenyl)-(2,4-dimethoxyphenyl)methanol
CID 100803991
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
(2,4-dichlorophenyl)-(2,4-dimethoxyphenyl)methanol
CID 61087695
(2-amino-1,3-thiazol-5-yl)-(2,4-dimethoxyphenyl)methanol
CID 113370193
(4-bromo-3,5-dimethylphenyl)-(2,4-dimethoxyphenyl)methanol
CID 114329901
3-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylthiophene
CID 102884472
(2,4-dimethoxyphenyl)-(3,5-dimethylthiophen-2-yl)methanamine
CID 81156141
(2,4-dimethoxyphenyl)-(2,4,6-trifluorophenyl)methanol
CID 61089367
(2,4-dimethoxyphenyl)-(4-fluoro-3-methylphenyl)methanol
CID 62802132
(2,4-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanol
CID 115373623

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-(2,5-dimethylthiophen-3-yl)methanol?
The IUPAC name of (2,4-dimethoxyphenyl)-(2,5-dimethylthiophen-3-yl)methanol (CID 61089487) is (2,4-dimethoxyphenyl)-(2,5-dimethylthiophen-3-yl)methanol.
What is the SMILES notation for (2,4-dimethoxyphenyl)-(2,5-dimethylthiophen-3-yl)methanol?
The canonical SMILES for (2,4-dimethoxyphenyl)-(2,5-dimethylthiophen-3-yl)methanol is COc1ccc(C(O)c2cc(C)sc2C)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-(2,5-dimethylthiophen-3-yl)methanol?
The InChIKey is FXRQGFZETONBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3S/c1-9-7-13(10(2)19-9)15(16)12-6-5-11(17-3)8-14(12)18-4/h5-8,15-16H,1-4H3.
What are the key properties of (2,4-dimethoxyphenyl)-(2,5-dimethylthiophen-3-yl)methanol?
(2,4-dimethoxyphenyl)-(2,5-dimethylthiophen-3-yl)methanol has a molecular weight of 278.37 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-(2,5-dimethylthiophen-3-yl)methanol is sourced from PubChem (CID 61089487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).