(5-methylfuran-3-yl)-(2,4,6-trimethoxyphenyl)methanol

C15H18O5 — CID 114822264

IUPAC(5-methylfuran-3-yl)-(2,4,6-trimethoxyphenyl)methanol
SMILESCOc1cc(OC)c(C(O)c2coc(C)c2)c(OC)c1
InChIInChI=1S/C15H18O5/c1-9-5-10(8-20-9)15(16)14-12(18-3)6-11(17-2)7-13(14)19-4/h5-8,15-16H,1-4H3
InChIKeyHQVRXNGYHJOAGY-UHFFFAOYSA-N
MW278.30 g/mol
LogP2.70
Rot. Bonds5

About (5-methylfuran-3-yl)-(2,4,6-trimethoxyphenyl)methanol

(5-methylfuran-3-yl)-(2,4,6-trimethoxyphenyl)methanol (PubChem CID 114822264) has the molecular formula C15H18O5 and a molecular weight of 278.30 g/mol. Its IUPAC name is (5-methylfuran-3-yl)-(2,4,6-trimethoxyphenyl)methanol.

Molecular Properties

Compound Name(5-methylfuran-3-yl)-(2,4,6-trimethoxyphenyl)methanol
PubChem CID114822264
Molecular FormulaC15H18O5
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name(5-methylfuran-3-yl)-(2,4,6-trimethoxyphenyl)methanol
SMILESCOc1cc(OC)c(C(O)c2coc(C)c2)c(OC)c1
InChIInChI=1S/C15H18O5/c1-9-5-10(8-20-9)15(16)14-12(18-3)6-11(17-2)7-13(14)19-4/h5-8,15-16H,1-4H3
InChIKeyHQVRXNGYHJOAGY-UHFFFAOYSA-N
XLogP2.70
TPSA61.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6-methoxynaphthalen-2-yl)-(5-methylfuran-3-yl)methanol
CID 114822321
1-(2,4-dimethoxyphenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
CID 114819922
(2,6-dimethoxy-4-methylphenyl)-phenylmethanol
CID 101134795
(2-methoxy-4,6-dimethylphenyl)-(5-methylfuran-3-yl)methanamine
CID 106682403
1-(5-methylfuran-3-yl)ethanol
CID 112692743
[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]-(3,5-dimethoxyphenyl)methanol
CID 90702066
3-methyl-1-(2,4,6-trimethoxyphenyl)but-2-en-1-ol
CID 79189463
1-(2-bromo-4,6-dimethoxyphenyl)ethanol
CID 84710416
2-hydroxy-2-(2,4,6-trimethoxyphenyl)acetamide
CID 62225648
(4-methoxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanol
CID 65153068
2-[bis(2,4-dimethoxy-6-methylphenyl)methyl]-1,3,5-trimethoxybenzene
CID 91355849
2-bromo-1-(2,4-dimethoxy-6-methylphenyl)ethanol
CID 116863258

Frequently Asked Questions

What is the IUPAC name of (5-methylfuran-3-yl)-(2,4,6-trimethoxyphenyl)methanol?
The IUPAC name of (5-methylfuran-3-yl)-(2,4,6-trimethoxyphenyl)methanol (CID 114822264) is (5-methylfuran-3-yl)-(2,4,6-trimethoxyphenyl)methanol.
What is the SMILES notation for (5-methylfuran-3-yl)-(2,4,6-trimethoxyphenyl)methanol?
The canonical SMILES for (5-methylfuran-3-yl)-(2,4,6-trimethoxyphenyl)methanol is COc1cc(OC)c(C(O)c2coc(C)c2)c(OC)c1.
What is the InChIKey of (5-methylfuran-3-yl)-(2,4,6-trimethoxyphenyl)methanol?
The InChIKey is HQVRXNGYHJOAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O5/c1-9-5-10(8-20-9)15(16)14-12(18-3)6-11(17-2)7-13(14)19-4/h5-8,15-16H,1-4H3.
What are the key properties of (5-methylfuran-3-yl)-(2,4,6-trimethoxyphenyl)methanol?
(5-methylfuran-3-yl)-(2,4,6-trimethoxyphenyl)methanol has a molecular weight of 278.30 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylfuran-3-yl)-(2,4,6-trimethoxyphenyl)methanol is sourced from PubChem (CID 114822264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).