4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-methyl-1H-naphthalene-2,2-dicarbonitrile

C23H22N2O4 — CID 132992655

IUPAC4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-methyl-1H-naphthalene-2,2-dicarbonitrile
SMILESCOc1ccc(C2=C(C)C(C#N)(C#N)Cc3cc(OC)c(OC)cc32)cc1OC
InChIInChI=1S/C23H22N2O4/c1-14-22(15-6-7-18(26-2)19(8-15)27-3)17-10-21(29-5)20(28-4)9-16(17)11-23(14,12-24)13-25/h6-10H,11H2,1-5H3
InChIKeyPUUKLIBAKAVCQQ-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.13
Rot. Bonds5

About 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-methyl-1H-naphthalene-2,2-dicarbonitrile

4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-methyl-1H-naphthalene-2,2-dicarbonitrile (PubChem CID 132992655) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-methyl-1H-naphthalene-2,2-dicarbonitrile.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-methyl-1H-naphthalene-2,2-dicarbonitrile
PubChem CID132992655
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-methyl-1H-naphthalene-2,2-dicarbonitrile
SMILESCOc1ccc(C2=C(C)C(C#N)(C#N)Cc3cc(OC)c(OC)cc32)cc1OC
InChIInChI=1S/C23H22N2O4/c1-14-22(15-6-7-18(26-2)19(8-15)27-3)17-10-21(29-5)20(28-4)9-16(17)11-23(14,12-24)13-25/h6-10H,11H2,1-5H3
InChIKeyPUUKLIBAKAVCQQ-UHFFFAOYSA-N
XLogP4.13
TPSA84.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6,7-dimethoxy-4-(4-methoxyphenyl)-3-methyl-1H-naphthalene-2,2-dicarbonitrile
CID 132992652
4-(3,4-dimethoxyphenyl)benzonitrile
CID 11195791
1,2-dimethoxy-4-(4-methylphenyl)benzene;ethane
CID 142094347
7-(3,4-dimethoxyphenyl)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile
CID 10041984
4-(4-bromophenyl)-1,2-dimethoxybenzene
CID 83666365
3-(3,4-dimethoxyphenyl)-4-methylaniline
CID 39232128
1-(3,4-dimethoxyphenyl)-2,2-dimethylcyclopropane-1-carbonitrile
CID 116842265
6,7-dimethoxy-1-methylspiro[4H-isoquinoline-3,1'-cyclohexane]
CID 685907
1-methoxy-2,4-bis(4-methoxyphenyl)benzene
CID 102598609
4-(3,4-dimethoxyphenyl)-2-fluorobenzonitrile
CID 59689087
3-(3,4-dimethoxyphenyl)cyclopropane-1,1,2,2-tetracarbonitrile
CID 3352701
2-amino-4-(3,4-dimethoxyphenyl)-6-methylpyridine-3-carbonitrile
CID 856329

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-methyl-1H-naphthalene-2,2-dicarbonitrile?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-methyl-1H-naphthalene-2,2-dicarbonitrile (CID 132992655) is 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-methyl-1H-naphthalene-2,2-dicarbonitrile.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-methyl-1H-naphthalene-2,2-dicarbonitrile?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-methyl-1H-naphthalene-2,2-dicarbonitrile is COc1ccc(C2=C(C)C(C#N)(C#N)Cc3cc(OC)c(OC)cc32)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-methyl-1H-naphthalene-2,2-dicarbonitrile?
The InChIKey is PUUKLIBAKAVCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-14-22(15-6-7-18(26-2)19(8-15)27-3)17-10-21(29-5)20(28-4)9-16(17)11-23(14,12-24)13-25/h6-10H,11H2,1-5H3.
What are the key properties of 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-methyl-1H-naphthalene-2,2-dicarbonitrile?
4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-methyl-1H-naphthalene-2,2-dicarbonitrile has a molecular weight of 390.44 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-methyl-1H-naphthalene-2,2-dicarbonitrile is sourced from PubChem (CID 132992655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).