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

C19H18O3 — CID 6443783

IUPAC2-methoxy-4-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol
SMILESC/C=C/c1ccc2oc(-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/h4-11,20H,1-3H3/b5-4+
InChIKeyHMGCTPMQYVGXSC-SNAWJCMRSA-N
MW294.35 g/mol
LogP5.16
Rot. Bonds3

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

2-methoxy-4-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol (PubChem CID 6443783) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-methoxy-4-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol
PubChem CID6443783
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name2-methoxy-4-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol
SMILESC/C=C/c1ccc2oc(-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/h4-11,20H,1-3H3/b5-4+
InChIKeyHMGCTPMQYVGXSC-SNAWJCMRSA-N
XLogP5.16
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.35
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol?
The IUPAC name of 2-methoxy-4-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol (CID 6443783) is 2-methoxy-4-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol.
What is the SMILES notation for 2-methoxy-4-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol?
The canonical SMILES for 2-methoxy-4-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol is C/C=C/c1ccc2oc(-c3ccc(O)c(OC)c3)c(C)c2c1.
What is the InChIKey of 2-methoxy-4-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol?
The InChIKey is HMGCTPMQYVGXSC-SNAWJCMRSA-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/h4-11,20H,1-3H3/b5-4+.
What are the key properties of 2-methoxy-4-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol?
2-methoxy-4-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol has a molecular weight of 294.35 g/mol, XLogP of 5.16, 3 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-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol is sourced from PubChem (CID 6443783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).