2-[4-(3-methoxy-5-methylphenoxy)-6-methyl-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol

C20H24O4 — CID 163162623

IUPAC2-[4-(3-methoxy-5-methylphenoxy)-6-methyl-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol
SMILESCOc1cc(C)cc(Oc2cc(C)cc3c2CC(C(C)(C)O)O3)c1
InChIInChI=1S/C20H24O4/c1-12-6-14(22-5)10-15(7-12)23-17-8-13(2)9-18-16(17)11-19(24-18)20(3,4)21/h6-10,19,21H,11H2,1-5H3
InChIKeyRNHGITMMGIIZNJ-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.18
Rot. Bonds4

About 2-[4-(3-methoxy-5-methylphenoxy)-6-methyl-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol

2-[4-(3-methoxy-5-methylphenoxy)-6-methyl-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol (PubChem CID 163162623) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-[4-(3-methoxy-5-methylphenoxy)-6-methyl-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[4-(3-methoxy-5-methylphenoxy)-6-methyl-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol
PubChem CID163162623
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name2-[4-(3-methoxy-5-methylphenoxy)-6-methyl-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol
SMILESCOc1cc(C)cc(Oc2cc(C)cc3c2CC(C(C)(C)O)O3)c1
InChIInChI=1S/C20H24O4/c1-12-6-14(22-5)10-15(7-12)23-17-8-13(2)9-18-16(17)11-19(24-18)20(3,4)21/h6-10,19,21H,11H2,1-5H3
InChIKeyRNHGITMMGIIZNJ-UHFFFAOYSA-N
XLogP4.18
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxy-5-methylphenoxy)-6-methyl-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol?
The IUPAC name of 2-[4-(3-methoxy-5-methylphenoxy)-6-methyl-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol (CID 163162623) is 2-[4-(3-methoxy-5-methylphenoxy)-6-methyl-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol.
What is the SMILES notation for 2-[4-(3-methoxy-5-methylphenoxy)-6-methyl-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol?
The canonical SMILES for 2-[4-(3-methoxy-5-methylphenoxy)-6-methyl-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol is COc1cc(C)cc(Oc2cc(C)cc3c2CC(C(C)(C)O)O3)c1.
What is the InChIKey of 2-[4-(3-methoxy-5-methylphenoxy)-6-methyl-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol?
The InChIKey is RNHGITMMGIIZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c1-12-6-14(22-5)10-15(7-12)23-17-8-13(2)9-18-16(17)11-19(24-18)20(3,4)21/h6-10,19,21H,11H2,1-5H3.
What are the key properties of 2-[4-(3-methoxy-5-methylphenoxy)-6-methyl-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol?
2-[4-(3-methoxy-5-methylphenoxy)-6-methyl-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol has a molecular weight of 328.41 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxy-5-methylphenoxy)-6-methyl-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol is sourced from PubChem (CID 163162623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).