3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-1-methyl-1H-indene

C20H22O4 — CID 14024787

IUPAC3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-1-methyl-1H-indene
SMILESCOc1ccc(C2=CC(C)c3cc(OC)c(OC)cc32)cc1OC
InChIInChI=1S/C20H22O4/c1-12-8-15(13-6-7-17(21-2)18(9-13)22-3)16-11-20(24-5)19(23-4)10-14(12)16/h6-12H,1-5H3
InChIKeyMBCIQTWETSCIGK-UHFFFAOYSA-N
MW326.39 g/mol
LogP4.27
Rot. Bonds5

About 3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-1-methyl-1H-indene

3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-1-methyl-1H-indene (PubChem CID 14024787) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-1-methyl-1H-indene.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-1-methyl-1H-indene
PubChem CID14024787
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-1-methyl-1H-indene
SMILESCOc1ccc(C2=CC(C)c3cc(OC)c(OC)cc32)cc1OC
InChIInChI=1S/C20H22O4/c1-12-8-15(13-6-7-17(21-2)18(9-13)22-3)16-11-20(24-5)19(23-4)10-14(12)16/h6-12H,1-5H3
InChIKeyMBCIQTWETSCIGK-UHFFFAOYSA-N
XLogP4.27
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dimethoxy-1,3-diphenyl-1H-indene
CID 15092086
1-(3,4-dimethoxyphenyl)-4-ethyl-7,8-dimethoxy-5-methyl-5H-2,3-benzodiazepine
CID 15587233
1,2-dimethoxy-4-(4-methylphenyl)benzene;ethane
CID 142094347
4-(4-bromophenyl)-1,2-dimethoxybenzene
CID 83666365
(NZ)-N-[3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-2-methyl-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 45480891
4,5,10,11,16,17-hexakis(3,4-dimethoxyphenyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 101071642
3-amino-5-[3-[tert-butyl(dimethyl)-λ4-sulfanyl]oxy-4-methoxyphenyl]-7,8,9-trimethoxy-3H-1-benzoxepin-2-one
CID 144536153
3-(3,4-dimethoxyphenyl)-4-methoxypyridine
CID 71341978
2-(3,4-dimethoxyphenyl)-1H-pyridin-4-one
CID 53229468
1-[1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-5H-2,3-benzodiazepin-4-yl]ethanone
CID 58919517
2-(3,4-dimethoxyphenyl)naphthalene
CID 10890732
1,2-bis(4-fluorophenyl)-4,5-dimethoxybenzene
CID 118497324

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-1-methyl-1H-indene?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-1-methyl-1H-indene (CID 14024787) is 3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-1-methyl-1H-indene.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-1-methyl-1H-indene?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-1-methyl-1H-indene is COc1ccc(C2=CC(C)c3cc(OC)c(OC)cc32)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-1-methyl-1H-indene?
The InChIKey is MBCIQTWETSCIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O4/c1-12-8-15(13-6-7-17(21-2)18(9-13)22-3)16-11-20(24-5)19(23-4)10-14(12)16/h6-12H,1-5H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-1-methyl-1H-indene?
3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-1-methyl-1H-indene has a molecular weight of 326.39 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-1-methyl-1H-indene is sourced from PubChem (CID 14024787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).