4-methoxy-2-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzofuran

C16H18O2 — CID 11402240

IUPAC4-methoxy-2-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzofuran
SMILESCOC1CCCc2oc(-c3ccc(C)cc3)cc21
InChIInChI=1S/C16H18O2/c1-11-6-8-12(9-7-11)16-10-13-14(17-2)4-3-5-15(13)18-16/h6-10,14H,3-5H2,1-2H3
InChIKeyCUAOBENIUBQBCB-UHFFFAOYSA-N
MW242.32 g/mol
LogP4.28
Rot. Bonds2

About 4-methoxy-2-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzofuran

4-methoxy-2-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzofuran (PubChem CID 11402240) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-methoxy-2-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzofuran.

Molecular Properties

Compound Name4-methoxy-2-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzofuran
PubChem CID11402240
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name4-methoxy-2-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzofuran
SMILESCOC1CCCc2oc(-c3ccc(C)cc3)cc21
InChIInChI=1S/C16H18O2/c1-11-6-8-12(9-7-11)16-10-13-14(17-2)4-3-5-15(13)18-16/h6-10,14H,3-5H2,1-2H3
InChIKeyCUAOBENIUBQBCB-UHFFFAOYSA-N
XLogP4.28
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-butoxy-2-phenyl-4,5,6,7-tetrahydro-1-benzofuran
CID 11346272
4-methoxy-2-propyl-4,5,6,7-tetrahydro-1-benzofuran
CID 102384281
3-bromo-4-methoxy-2-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzofuran
CID 71652269
(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-8-[(2-phenyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)oxymethyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 11374491
5-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol
CID 105437541
8-(4-methylphenyl)-2,3,3a,4,5,6-hexahydro-1H-phenalene
CID 59217486
1-methoxy-6-(methylperoxymethyl)-1,2,3,4-tetrahydronaphthalene
CID 54175180
4-[bis(4-ethoxy-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methyl]-N,N-dimethylaniline
CID 12989630
1-methoxy-5-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 155221844
4-methoxy-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonitrile
CID 83985488
6,6-dimethyl-2-(4-methylphenyl)-5,7-dihydro-1-benzofuran-4-one
CID 14293193
1-cyclohexyl-4-methylbenzene;methoxymethane
CID 143168317

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzofuran?
The IUPAC name of 4-methoxy-2-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzofuran (CID 11402240) is 4-methoxy-2-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzofuran.
What is the SMILES notation for 4-methoxy-2-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzofuran?
The canonical SMILES for 4-methoxy-2-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzofuran is COC1CCCc2oc(-c3ccc(C)cc3)cc21.
What is the InChIKey of 4-methoxy-2-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzofuran?
The InChIKey is CUAOBENIUBQBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-11-6-8-12(9-7-11)16-10-13-14(17-2)4-3-5-15(13)18-16/h6-10,14H,3-5H2,1-2H3.
What are the key properties of 4-methoxy-2-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzofuran?
4-methoxy-2-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzofuran has a molecular weight of 242.32 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzofuran is sourced from PubChem (CID 11402240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).