3,5-dimethoxy-2-(5-prop-1-enyl-1-benzofuran-2-yl)phenol

C19H18O4 — CID 86159972

IUPAC3,5-dimethoxy-2-(5-prop-1-enyl-1-benzofuran-2-yl)phenol
SMILESCC=Cc1ccc2oc(-c3c(O)cc(OC)cc3OC)cc2c1
InChIInChI=1S/C19H18O4/c1-4-5-12-6-7-16-13(8-12)9-18(23-16)19-15(20)10-14(21-2)11-17(19)22-3/h4-11,20H,1-3H3
InChIKeyZVUKDEUIFQUXQP-UHFFFAOYSA-N
MW310.35 g/mol
LogP4.86
Rot. Bonds4

About 3,5-dimethoxy-2-(5-prop-1-enyl-1-benzofuran-2-yl)phenol

3,5-dimethoxy-2-(5-prop-1-enyl-1-benzofuran-2-yl)phenol (PubChem CID 86159972) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 3,5-dimethoxy-2-(5-prop-1-enyl-1-benzofuran-2-yl)phenol.

Molecular Properties

Compound Name3,5-dimethoxy-2-(5-prop-1-enyl-1-benzofuran-2-yl)phenol
PubChem CID86159972
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name3,5-dimethoxy-2-(5-prop-1-enyl-1-benzofuran-2-yl)phenol
SMILESCC=Cc1ccc2oc(-c3c(O)cc(OC)cc3OC)cc2c1
InChIInChI=1S/C19H18O4/c1-4-5-12-6-7-16-13(8-12)9-18(23-16)19-15(20)10-14(21-2)11-17(19)22-3/h4-11,20H,1-3H3
InChIKeyZVUKDEUIFQUXQP-UHFFFAOYSA-N
XLogP4.86
TPSA51.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-2-(5-prop-1-enyl-1-benzofuran-2-yl)phenol?
The IUPAC name of 3,5-dimethoxy-2-(5-prop-1-enyl-1-benzofuran-2-yl)phenol (CID 86159972) is 3,5-dimethoxy-2-(5-prop-1-enyl-1-benzofuran-2-yl)phenol.
What is the SMILES notation for 3,5-dimethoxy-2-(5-prop-1-enyl-1-benzofuran-2-yl)phenol?
The canonical SMILES for 3,5-dimethoxy-2-(5-prop-1-enyl-1-benzofuran-2-yl)phenol is CC=Cc1ccc2oc(-c3c(O)cc(OC)cc3OC)cc2c1.
What is the InChIKey of 3,5-dimethoxy-2-(5-prop-1-enyl-1-benzofuran-2-yl)phenol?
The InChIKey is ZVUKDEUIFQUXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c1-4-5-12-6-7-16-13(8-12)9-18(23-16)19-15(20)10-14(21-2)11-17(19)22-3/h4-11,20H,1-3H3.
What are the key properties of 3,5-dimethoxy-2-(5-prop-1-enyl-1-benzofuran-2-yl)phenol?
3,5-dimethoxy-2-(5-prop-1-enyl-1-benzofuran-2-yl)phenol has a molecular weight of 310.35 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-2-(5-prop-1-enyl-1-benzofuran-2-yl)phenol is sourced from PubChem (CID 86159972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).