3-(3-methoxyphenyl)-4,6,7-trimethyl-2,3-dihydro-1-benzofuran

C18H20O2 — CID 23113923

IUPAC3-(3-methoxyphenyl)-4,6,7-trimethyl-2,3-dihydro-1-benzofuran
SMILESCOc1cccc(C2COc3c(C)c(C)cc(C)c32)c1
InChIInChI=1S/C18H20O2/c1-11-8-12(2)17-16(10-20-18(17)13(11)3)14-6-5-7-15(9-14)19-4/h5-9,16H,10H2,1-4H3
InChIKeyLRGSKRNEMXGHEB-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.14
Rot. Bonds2

About 3-(3-methoxyphenyl)-4,6,7-trimethyl-2,3-dihydro-1-benzofuran

3-(3-methoxyphenyl)-4,6,7-trimethyl-2,3-dihydro-1-benzofuran (PubChem CID 23113923) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-4,6,7-trimethyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-4,6,7-trimethyl-2,3-dihydro-1-benzofuran
PubChem CID23113923
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name3-(3-methoxyphenyl)-4,6,7-trimethyl-2,3-dihydro-1-benzofuran
SMILESCOc1cccc(C2COc3c(C)c(C)cc(C)c32)c1
InChIInChI=1S/C18H20O2/c1-11-8-12(2)17-16(10-20-18(17)13(11)3)14-6-5-7-15(9-14)19-4/h5-9,16H,10H2,1-4H3
InChIKeyLRGSKRNEMXGHEB-UHFFFAOYSA-N
XLogP4.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-4,6,7-trimethyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 3-(3-methoxyphenyl)-4,6,7-trimethyl-2,3-dihydro-1-benzofuran (CID 23113923) is 3-(3-methoxyphenyl)-4,6,7-trimethyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 3-(3-methoxyphenyl)-4,6,7-trimethyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 3-(3-methoxyphenyl)-4,6,7-trimethyl-2,3-dihydro-1-benzofuran is COc1cccc(C2COc3c(C)c(C)cc(C)c32)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-4,6,7-trimethyl-2,3-dihydro-1-benzofuran?
The InChIKey is LRGSKRNEMXGHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-11-8-12(2)17-16(10-20-18(17)13(11)3)14-6-5-7-15(9-14)19-4/h5-9,16H,10H2,1-4H3.
What are the key properties of 3-(3-methoxyphenyl)-4,6,7-trimethyl-2,3-dihydro-1-benzofuran?
3-(3-methoxyphenyl)-4,6,7-trimethyl-2,3-dihydro-1-benzofuran has a molecular weight of 268.36 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-4,6,7-trimethyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 23113923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).