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

C15H18O4 — CID 61100714

IUPAC(3,4-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanol
SMILESCOc1ccc(C(O)c2cc(C)oc2C)cc1OC
InChIInChI=1S/C15H18O4/c1-9-7-12(10(2)19-9)15(16)11-5-6-13(17-3)14(8-11)18-4/h5-8,15-16H,1-4H3
InChIKeyQVIWXFVDZMMKGJ-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.00
Rot. Bonds4

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

(3,4-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanol (PubChem CID 61100714) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanol.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanol
PubChem CID61100714
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name(3,4-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanol
SMILESCOc1ccc(C(O)c2cc(C)oc2C)cc1OC
InChIInChI=1S/C15H18O4/c1-9-7-12(10(2)19-9)15(16)11-5-6-13(17-3)14(8-11)18-4/h5-8,15-16H,1-4H3
InChIKeyQVIWXFVDZMMKGJ-UHFFFAOYSA-N
XLogP3.00
TPSA51.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dichlorophenyl)-(2,5-dimethylfuran-3-yl)methanol
CID 61081015
(S)-(3,4-dimethoxyphenyl)-phenylmethanol
CID 7154230
(2-bromo-5-methylphenyl)-(3,4-dimethoxyphenyl)methanol
CID 81111618
(3-amino-2-methylphenyl)-(3,4-dimethoxyphenyl)methanol
CID 91678392
1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770
(4-methoxy-3-methylphenyl)-(2-methylfuran-3-yl)methanol
CID 61082456
1-(2,5-dimethylfuran-3-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 115782163
(3,4-dimethoxyphenyl)-(2-methylpyrimidin-4-yl)methanol
CID 115527861
(3-bromo-4-methoxyphenyl)-(2-methylfuran-3-yl)methanol
CID 61100656
(3,4-dimethoxyphenyl)-pyridin-2-ylmethanol
CID 14098122
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
(2,5-dimethylfuran-3-yl)-(5-methyl-3-pyridinyl)methanol
CID 115827884

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanol?
The IUPAC name of (3,4-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanol (CID 61100714) is (3,4-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanol.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanol?
The canonical SMILES for (3,4-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanol is COc1ccc(C(O)c2cc(C)oc2C)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanol?
The InChIKey is QVIWXFVDZMMKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-9-7-12(10(2)19-9)15(16)11-5-6-13(17-3)14(8-11)18-4/h5-8,15-16H,1-4H3.
What are the key properties of (3,4-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanol?
(3,4-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanol has a molecular weight of 262.31 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanol is sourced from PubChem (CID 61100714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).