2-methoxy-4-(7-methoxy-2,3-dihydro-1-benzofuran-2-yl)phenol

C16H16O4 — CID 86220883

IUPAC2-methoxy-4-(7-methoxy-2,3-dihydro-1-benzofuran-2-yl)phenol
SMILESCOc1cc(C2Cc3cccc(OC)c3O2)ccc1O
InChIInChI=1S/C16H16O4/c1-18-13-5-3-4-11-9-14(20-16(11)13)10-6-7-12(17)15(8-10)19-2/h3-8,14,17H,9H2,1-2H3
InChIKeyDSFNYZIUCURRJO-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.09
Rot. Bonds3

About 2-methoxy-4-(7-methoxy-2,3-dihydro-1-benzofuran-2-yl)phenol

2-methoxy-4-(7-methoxy-2,3-dihydro-1-benzofuran-2-yl)phenol (PubChem CID 86220883) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-methoxy-4-(7-methoxy-2,3-dihydro-1-benzofuran-2-yl)phenol.

Molecular Properties

Compound Name2-methoxy-4-(7-methoxy-2,3-dihydro-1-benzofuran-2-yl)phenol
PubChem CID86220883
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name2-methoxy-4-(7-methoxy-2,3-dihydro-1-benzofuran-2-yl)phenol
SMILESCOc1cc(C2Cc3cccc(OC)c3O2)ccc1O
InChIInChI=1S/C16H16O4/c1-18-13-5-3-4-11-9-14(20-16(11)13)10-6-7-12(17)15(8-10)19-2/h3-8,14,17H,9H2,1-2H3
InChIKeyDSFNYZIUCURRJO-UHFFFAOYSA-N
XLogP3.09
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methyl-2,3-dihydrochromen-4-one
CID 141392806
(E)-3-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoic acid
CID 143676818
(3S)-8-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-3,4-dihydroisochromen-1-one
CID 10493415
3-(4-hydroxy-3-methoxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroisochromen-1-one
CID 85260359
4-[6-[(E)-3-hydroxyprop-1-enyl]-8-methoxy-3,4-dihydro-2H-chromen-2-yl]-2-methoxyphenol
CID 56832872
2-methoxy-4-(oxolan-2-yl)phenol
CID 70616633
8-hydroxy-3-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydroisochromen-1-one
CID 11047051
(3aS,6aS)-1,4-bis(4-hydroxy-3-methoxyphenyl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione
CID 101432518
potassium 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 46841773
2-(azidomethyl)-7-methoxy-2,3-dihydro-1-benzofuran
CID 86599172
5-(3,4-dihydro-1H-isochromen-3-yl)-2-methoxyphenol
CID 15110282
potassium;(2S)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one;hydride
CID 173056573

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(7-methoxy-2,3-dihydro-1-benzofuran-2-yl)phenol?
The IUPAC name of 2-methoxy-4-(7-methoxy-2,3-dihydro-1-benzofuran-2-yl)phenol (CID 86220883) is 2-methoxy-4-(7-methoxy-2,3-dihydro-1-benzofuran-2-yl)phenol.
What is the SMILES notation for 2-methoxy-4-(7-methoxy-2,3-dihydro-1-benzofuran-2-yl)phenol?
The canonical SMILES for 2-methoxy-4-(7-methoxy-2,3-dihydro-1-benzofuran-2-yl)phenol is COc1cc(C2Cc3cccc(OC)c3O2)ccc1O.
What is the InChIKey of 2-methoxy-4-(7-methoxy-2,3-dihydro-1-benzofuran-2-yl)phenol?
The InChIKey is DSFNYZIUCURRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-18-13-5-3-4-11-9-14(20-16(11)13)10-6-7-12(17)15(8-10)19-2/h3-8,14,17H,9H2,1-2H3.
What are the key properties of 2-methoxy-4-(7-methoxy-2,3-dihydro-1-benzofuran-2-yl)phenol?
2-methoxy-4-(7-methoxy-2,3-dihydro-1-benzofuran-2-yl)phenol has a molecular weight of 272.30 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(7-methoxy-2,3-dihydro-1-benzofuran-2-yl)phenol is sourced from PubChem (CID 86220883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).