7-(4-methoxyphenyl)-2-[(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran

C23H22O2 — CID 141158954

IUPAC7-(4-methoxyphenyl)-2-[(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
SMILESCOc1ccc(-c2cccc3c2OC(Cc2ccc(C)cc2)C3)cc1
InChIInChI=1S/C23H22O2/c1-16-6-8-17(9-7-16)14-21-15-19-4-3-5-22(23(19)25-21)18-10-12-20(24-2)13-11-18/h3-13,21H,14-15H2,1-2H3
InChIKeyGTXLAIQMBZYTNS-UHFFFAOYSA-N
MW330.43 g/mol
LogP5.22
Rot. Bonds4

About 7-(4-methoxyphenyl)-2-[(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran

7-(4-methoxyphenyl)-2-[(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran (PubChem CID 141158954) has the molecular formula C23H22O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-2-[(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-2-[(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
PubChem CID141158954
Molecular FormulaC23H22O2
Molecular Weight330.43 g/mol
Exact Mass330.16
IUPAC Name7-(4-methoxyphenyl)-2-[(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
SMILESCOc1ccc(-c2cccc3c2OC(Cc2ccc(C)cc2)C3)cc1
InChIInChI=1S/C23H22O2/c1-16-6-8-17(9-7-16)14-21-15-19-4-3-5-22(23(19)25-21)18-10-12-20(24-2)13-11-18/h3-13,21H,14-15H2,1-2H3
InChIKeyGTXLAIQMBZYTNS-UHFFFAOYSA-N
XLogP5.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[7-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methylcarbamic acid
CID 69108404
N-methyl-1-[7-(4-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11964052
7-(4-methoxyphenyl)-N-methyl-2,3-dihydro-1-benzofuran-2-amine
CID 174539394
2-(azidomethyl)-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran
CID 86599211
2-(azidomethyl)-7-(3-methoxyphenyl)-2,3-dihydro-1-benzofuran
CID 86599209
N-ethyl-N-[[7-(4-methoxyphenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]ethanamine
CID 69331747
3-(4-methoxyphenyl)-N-[(7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide
CID 45177695
[(2S)-7-(2,4-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129383363
[7-(2,5-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11219873
[7-(2,5-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl 4-methylbenzenesulfonate
CID 86599152
[7-(2,4-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl 4-methylbenzenesulfonate
CID 86599142
(5R)-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 71562212

Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-2-[(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 7-(4-methoxyphenyl)-2-[(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran (CID 141158954) is 7-(4-methoxyphenyl)-2-[(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 7-(4-methoxyphenyl)-2-[(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 7-(4-methoxyphenyl)-2-[(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran is COc1ccc(-c2cccc3c2OC(Cc2ccc(C)cc2)C3)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-2-[(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran?
The InChIKey is GTXLAIQMBZYTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O2/c1-16-6-8-17(9-7-16)14-21-15-19-4-3-5-22(23(19)25-21)18-10-12-20(24-2)13-11-18/h3-13,21H,14-15H2,1-2H3.
What are the key properties of 7-(4-methoxyphenyl)-2-[(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran?
7-(4-methoxyphenyl)-2-[(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran has a molecular weight of 330.43 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-2-[(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 141158954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).