2-[4-(3,5-dimethoxyphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran

C23H22O3 — CID 67328453

IUPAC2-[4-(3,5-dimethoxyphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran
SMILESCOc1cc(OC)cc(-c2c(C)ccc3c2C=C(c2ccc(C)o2)C3)c1
InChIInChI=1S/C23H22O3/c1-14-5-7-16-9-17(22-8-6-15(2)26-22)12-21(16)23(14)18-10-19(24-3)13-20(11-18)25-4/h5-8,10-13H,9H2,1-4H3
InChIKeyMBMMNFXHUANKBS-UHFFFAOYSA-N
MW346.43 g/mol
LogP5.68
Rot. Bonds4

About 2-[4-(3,5-dimethoxyphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran

2-[4-(3,5-dimethoxyphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran (PubChem CID 67328453) has the molecular formula C23H22O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-[4-(3,5-dimethoxyphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran.

Molecular Properties

Compound Name2-[4-(3,5-dimethoxyphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran
PubChem CID67328453
Molecular FormulaC23H22O3
Molecular Weight346.43 g/mol
Exact Mass346.16
IUPAC Name2-[4-(3,5-dimethoxyphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran
SMILESCOc1cc(OC)cc(-c2c(C)ccc3c2C=C(c2ccc(C)o2)C3)c1
InChIInChI=1S/C23H22O3/c1-14-5-7-16-9-17(22-8-6-15(2)26-22)12-21(16)23(14)18-10-19(24-3)13-20(11-18)25-4/h5-8,10-13H,9H2,1-4H3
InChIKeyMBMMNFXHUANKBS-UHFFFAOYSA-N
XLogP5.68
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethanone, 1-(3,5-bis(phenylmethoxy)phenyl)-
CID 120098
10-[(3,5-Dimethoxyphenyl)methylidene]anthracen-9-one
CID 11002381
Stemofuran E
CID 641367
Stemofuran F
CID 11130289
Stemofuran G
CID 11748527
5,6,8-Trimethoxy-2-propylbenzo[g]chromen-4-one
CID 44445792
3',3',5',5'-Tetramethoxychalcone
CID 51355269
Machaeridiol C
CID 10882982
Stemofuran J
CID 11077369
1-Phenyl-3-(5-p-tolyl-furan-2-yl)-propenone
CID 5706152
(E)-1-(4-methylphenyl)-3-[5-(4-methylphenyl)furan-2-yl]prop-2-en-1-one
CID 5758250
3-(1,1-Dimethyl-heptyl)-1-methoxy-6,6-dimethyl-6H-benzo[c]chromene-9-carboxylic acid methyl ester
CID 10812269

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dimethoxyphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran?
The IUPAC name of 2-[4-(3,5-dimethoxyphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran (CID 67328453) is 2-[4-(3,5-dimethoxyphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran.
What is the SMILES notation for 2-[4-(3,5-dimethoxyphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran?
The canonical SMILES for 2-[4-(3,5-dimethoxyphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran is COc1cc(OC)cc(-c2c(C)ccc3c2C=C(c2ccc(C)o2)C3)c1.
What is the InChIKey of 2-[4-(3,5-dimethoxyphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran?
The InChIKey is MBMMNFXHUANKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O3/c1-14-5-7-16-9-17(22-8-6-15(2)26-22)12-21(16)23(14)18-10-19(24-3)13-20(11-18)25-4/h5-8,10-13H,9H2,1-4H3.
What are the key properties of 2-[4-(3,5-dimethoxyphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran?
2-[4-(3,5-dimethoxyphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran has a molecular weight of 346.43 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dimethoxyphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran is sourced from PubChem (CID 67328453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).