3-(4-methoxyphenyl)-1-methyl-4,5-dihydro-2-benzofuran

C16H16O2 — CID 15352540

IUPAC3-(4-methoxyphenyl)-1-methyl-4,5-dihydro-2-benzofuran
SMILESCOc1ccc(-c2oc(C)c3c2CCC=C3)cc1
InChIInChI=1S/C16H16O2/c1-11-14-5-3-4-6-15(14)16(18-11)12-7-9-13(17-2)10-8-12/h3,5,7-10H,4,6H2,1-2H3
InChIKeyOUGHZMGJRQHREZ-UHFFFAOYSA-N
MW240.30 g/mol
LogP4.22
Rot. Bonds2

About 3-(4-methoxyphenyl)-1-methyl-4,5-dihydro-2-benzofuran

3-(4-methoxyphenyl)-1-methyl-4,5-dihydro-2-benzofuran (PubChem CID 15352540) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-methyl-4,5-dihydro-2-benzofuran.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-methyl-4,5-dihydro-2-benzofuran
PubChem CID15352540
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name3-(4-methoxyphenyl)-1-methyl-4,5-dihydro-2-benzofuran
SMILESCOc1ccc(-c2oc(C)c3c2CCC=C3)cc1
InChIInChI=1S/C16H16O2/c1-11-14-5-3-4-6-15(14)16(18-11)12-7-9-13(17-2)10-8-12/h3,5,7-10H,4,6H2,1-2H3
InChIKeyOUGHZMGJRQHREZ-UHFFFAOYSA-N
XLogP4.22
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-4-[2-(4-methoxyphenyl)cyclohexa-1,5-dien-1-yl]benzene
CID 173197359
1-(4-methoxyphenyl)-4-phenyl-5,6,7,8-tetrahydroisochromen-3-one
CID 162138090
dimethyl 1,3-bis(4-methoxyphenyl)-4,6-dihydrocyclopenta[c]furan-5,5-dicarboxylate
CID 132990625
5-(4-methoxyphenyl)-1-methyl-3-phenyl-5,6-dihydrocyclopenta[c]furan-4-one
CID 101467022
6-methoxy-10-methyl-1,2-dihydroacridin-9-one
CID 134892334
1-(113C)methoxy-4-methylbenzene
CID 166176950
2-(4-methoxyphenyl)-5-methylfuran
CID 11171456
1-methoxy-4-[2-(4-methoxyphenyl)cyclopenta-1,3-dien-1-yl]benzene
CID 15519665
2-(4-methoxyphenyl)-3-methyl-8-[(Z)-prop-1-enyl]chromen-4-one
CID 70447712
2-methoxy-1-[2-methoxy-3-(4-methoxyphenyl)-5,6-dihydronaphthalen-1-yl]-3-(4-methoxyphenyl)naphthalene
CID 146294520
methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054
2,3-bis(4-methoxyphenyl)-5,6-dimethylpyrazine
CID 14100167

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-methyl-4,5-dihydro-2-benzofuran?
The IUPAC name of 3-(4-methoxyphenyl)-1-methyl-4,5-dihydro-2-benzofuran (CID 15352540) is 3-(4-methoxyphenyl)-1-methyl-4,5-dihydro-2-benzofuran.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-methyl-4,5-dihydro-2-benzofuran?
The canonical SMILES for 3-(4-methoxyphenyl)-1-methyl-4,5-dihydro-2-benzofuran is COc1ccc(-c2oc(C)c3c2CCC=C3)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-methyl-4,5-dihydro-2-benzofuran?
The InChIKey is OUGHZMGJRQHREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-11-14-5-3-4-6-15(14)16(18-11)12-7-9-13(17-2)10-8-12/h3,5,7-10H,4,6H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-1-methyl-4,5-dihydro-2-benzofuran?
3-(4-methoxyphenyl)-1-methyl-4,5-dihydro-2-benzofuran has a molecular weight of 240.30 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-methyl-4,5-dihydro-2-benzofuran is sourced from PubChem (CID 15352540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).