2-methoxy-4-(3-methyl-5-prop-2-enyl-1-benzofuran-2-yl)phenol

C19H18O3 — CID 172883297

IUPAC2-methoxy-4-(3-methyl-5-prop-2-enyl-1-benzofuran-2-yl)phenol
SMILESC=CCc1ccc2oc(-c3ccc(O)c(OC)c3)c(C)c2c1
InChIInChI=1S/C19H18O3/c1-4-5-13-6-9-17-15(10-13)12(2)19(22-17)14-7-8-16(20)18(11-14)21-3/h4,6-11,20H,1,5H2,2-3H3
InChIKeyFFCYMOZQQIZBIB-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.85
Rot. Bonds4

About 2-methoxy-4-(3-methyl-5-prop-2-enyl-1-benzofuran-2-yl)phenol

2-methoxy-4-(3-methyl-5-prop-2-enyl-1-benzofuran-2-yl)phenol (PubChem CID 172883297) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-methoxy-4-(3-methyl-5-prop-2-enyl-1-benzofuran-2-yl)phenol.

Molecular Properties

Compound Name2-methoxy-4-(3-methyl-5-prop-2-enyl-1-benzofuran-2-yl)phenol
PubChem CID172883297
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name2-methoxy-4-(3-methyl-5-prop-2-enyl-1-benzofuran-2-yl)phenol
SMILESC=CCc1ccc2oc(-c3ccc(O)c(OC)c3)c(C)c2c1
InChIInChI=1S/C19H18O3/c1-4-5-13-6-9-17-15(10-13)12(2)19(22-17)14-7-8-16(20)18(11-14)21-3/h4,6-11,20H,1,5H2,2-3H3
InChIKeyFFCYMOZQQIZBIB-UHFFFAOYSA-N
XLogP4.85
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(3-methyl-5-prop-2-enyl-1-benzofuran-2-yl)phenol?
The IUPAC name of 2-methoxy-4-(3-methyl-5-prop-2-enyl-1-benzofuran-2-yl)phenol (CID 172883297) is 2-methoxy-4-(3-methyl-5-prop-2-enyl-1-benzofuran-2-yl)phenol.
What is the SMILES notation for 2-methoxy-4-(3-methyl-5-prop-2-enyl-1-benzofuran-2-yl)phenol?
The canonical SMILES for 2-methoxy-4-(3-methyl-5-prop-2-enyl-1-benzofuran-2-yl)phenol is C=CCc1ccc2oc(-c3ccc(O)c(OC)c3)c(C)c2c1.
What is the InChIKey of 2-methoxy-4-(3-methyl-5-prop-2-enyl-1-benzofuran-2-yl)phenol?
The InChIKey is FFCYMOZQQIZBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3/c1-4-5-13-6-9-17-15(10-13)12(2)19(22-17)14-7-8-16(20)18(11-14)21-3/h4,6-11,20H,1,5H2,2-3H3.
What are the key properties of 2-methoxy-4-(3-methyl-5-prop-2-enyl-1-benzofuran-2-yl)phenol?
2-methoxy-4-(3-methyl-5-prop-2-enyl-1-benzofuran-2-yl)phenol has a molecular weight of 294.35 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(3-methyl-5-prop-2-enyl-1-benzofuran-2-yl)phenol is sourced from PubChem (CID 172883297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).