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

C15H18O5 — CID 61082570

IUPAC(3-methylfuran-2-yl)-(2,3,4-trimethoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2occc2C)c(OC)c1OC
InChIInChI=1S/C15H18O5/c1-9-7-8-20-13(9)12(16)10-5-6-11(17-2)15(19-4)14(10)18-3/h5-8,12,16H,1-4H3
InChIKeyJIHRRWAELXULKL-UHFFFAOYSA-N
MW278.30 g/mol
LogP2.70
Rot. Bonds5

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

(3-methylfuran-2-yl)-(2,3,4-trimethoxyphenyl)methanol (PubChem CID 61082570) has the molecular formula C15H18O5 and a molecular weight of 278.30 g/mol. Its IUPAC name is (3-methylfuran-2-yl)-(2,3,4-trimethoxyphenyl)methanol.

Molecular Properties

Compound Name(3-methylfuran-2-yl)-(2,3,4-trimethoxyphenyl)methanol
PubChem CID61082570
Molecular FormulaC15H18O5
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name(3-methylfuran-2-yl)-(2,3,4-trimethoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2occc2C)c(OC)c1OC
InChIInChI=1S/C15H18O5/c1-9-7-8-20-13(9)12(16)10-5-6-11(17-2)15(19-4)14(10)18-3/h5-8,12,16H,1-4H3
InChIKeyJIHRRWAELXULKL-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

(4-methoxy-3,5-dimethylphenyl)-(3-methylfuran-2-yl)methanol
CID 83068781
2-[(2-chloro-3,4-dimethoxyphenyl)-hydroxymethyl]furan-3-carboxylic acid
CID 107432216
(2,3,4-trimethoxyphenyl)-(3,4,5-trimethoxyphenyl)methanol
CID 10570762
(2-methylfuran-3-yl)-(2,3,4-trimethoxyphenyl)methanamine
CID 43588995
(2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanol
CID 102829172
(5-methylthiophen-2-yl)-(2,3,4-trimethoxyphenyl)methanol
CID 61099992
(5-chloro-4-methylthiophen-2-yl)-(2,3,4-trimethoxyphenyl)methanol
CID 102764426
(2,4-difluorophenyl)-(3-methylfuran-2-yl)methanol
CID 61087172
(3-methylfuran-2-yl)-(2-methylthiophen-3-yl)methanol
CID 102829434
2-[(5-bromo-2-methoxyphenyl)-chloromethyl]-3-methylfuran
CID 61082512
2-bromo-3-[bromo-(2,3,4-trimethoxyphenyl)methyl]furan
CID 106855607
(2-amino-3-pyridinyl)-(3-methylfuran-2-yl)methanol
CID 104800648

Frequently Asked Questions

What is the IUPAC name of (3-methylfuran-2-yl)-(2,3,4-trimethoxyphenyl)methanol?
The IUPAC name of (3-methylfuran-2-yl)-(2,3,4-trimethoxyphenyl)methanol (CID 61082570) is (3-methylfuran-2-yl)-(2,3,4-trimethoxyphenyl)methanol.
What is the SMILES notation for (3-methylfuran-2-yl)-(2,3,4-trimethoxyphenyl)methanol?
The canonical SMILES for (3-methylfuran-2-yl)-(2,3,4-trimethoxyphenyl)methanol is COc1ccc(C(O)c2occc2C)c(OC)c1OC.
What is the InChIKey of (3-methylfuran-2-yl)-(2,3,4-trimethoxyphenyl)methanol?
The InChIKey is JIHRRWAELXULKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O5/c1-9-7-8-20-13(9)12(16)10-5-6-11(17-2)15(19-4)14(10)18-3/h5-8,12,16H,1-4H3.
What are the key properties of (3-methylfuran-2-yl)-(2,3,4-trimethoxyphenyl)methanol?
(3-methylfuran-2-yl)-(2,3,4-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 (3-methylfuran-2-yl)-(2,3,4-trimethoxyphenyl)methanol is sourced from PubChem (CID 61082570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).