1,2,3-trimethoxy-6,7-dimethyl-5-(3,4,5-trimethoxyphenyl)naphthalene

C24H28O6 — CID 11750268

IUPAC1,2,3-trimethoxy-6,7-dimethyl-5-(3,4,5-trimethoxyphenyl)naphthalene
SMILESCOc1cc(-c2c(C)c(C)cc3c(OC)c(OC)c(OC)cc23)cc(OC)c1OC
InChIInChI=1S/C24H28O6/c1-13-9-17-16(12-20(27-5)24(30-8)22(17)28-6)21(14(13)2)15-10-18(25-3)23(29-7)19(11-15)26-4/h9-12H,1-8H3
InChIKeyHTYHMAMJXVCTJT-UHFFFAOYSA-N
MW412.48 g/mol
LogP5.18
Rot. Bonds7

About 1,2,3-trimethoxy-6,7-dimethyl-5-(3,4,5-trimethoxyphenyl)naphthalene

1,2,3-trimethoxy-6,7-dimethyl-5-(3,4,5-trimethoxyphenyl)naphthalene (PubChem CID 11750268) has the molecular formula C24H28O6 and a molecular weight of 412.48 g/mol. Its IUPAC name is 1,2,3-trimethoxy-6,7-dimethyl-5-(3,4,5-trimethoxyphenyl)naphthalene.

Molecular Properties

Compound Name1,2,3-trimethoxy-6,7-dimethyl-5-(3,4,5-trimethoxyphenyl)naphthalene
PubChem CID11750268
Molecular FormulaC24H28O6
Molecular Weight412.48 g/mol
Exact Mass412.19
IUPAC Name1,2,3-trimethoxy-6,7-dimethyl-5-(3,4,5-trimethoxyphenyl)naphthalene
SMILESCOc1cc(-c2c(C)c(C)cc3c(OC)c(OC)c(OC)cc23)cc(OC)c1OC
InChIInChI=1S/C24H28O6/c1-13-9-17-16(12-20(27-5)24(30-8)22(17)28-6)21(14(13)2)15-10-18(25-3)23(29-7)19(11-15)26-4/h9-12H,1-8H3
InChIKeyHTYHMAMJXVCTJT-UHFFFAOYSA-N
XLogP5.18
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.48
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,5-dimethoxy-4-phenylmethoxyphenyl)-5,7-dimethoxy-2,3-dimethyl-6-phenylmethoxynaphthalene
CID 71601620
1,2,3-trimethoxy-5-methyl-4-(2,3,4-trimethoxy-6-methylphenyl)benzene
CID 20758550
methane;1,2,3,4-tetramethoxy-5-methylbenzene
CID 157228165
5,6,7-trimethoxy-9-(3,4,5-trimethoxyphenyl)-1H-benzo[f][2]benzofuran-3-one
CID 101050695
2,3,6,7-tetramethoxy-1-methylnaphthalene
CID 163473055
2-(4-bromophenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)thiophene
CID 86090832
1-bromo-5-(5-bromo-2,3,4-trimethoxy-6-methylphenyl)-2,3,4-trimethoxy-6-methylbenzene;1,2,3-trimethoxy-5-methyl-4-(2,3,4-trimethoxy-6-methylphenyl)benzene
CID 157222020
2,3-dimethoxy-5,6-dimethylphenol
CID 53405608
1-(2,3-dimethoxy-5,6-dimethylphenyl)ethanone
CID 117297608
5-(4-fluorophenyl)-1,2,3-trimethoxybenzene
CID 45156545
1-methoxy-3,4-dimethyl-2-(4-methylphenyl)benzene
CID 67556723
2,3,5-trimethoxy-7-methyl-6-(1,6,7-trimethoxy-3,5-dimethylnaphthalen-2-yl)naphthalene-1-carbaldehyde
CID 123872830

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethoxy-6,7-dimethyl-5-(3,4,5-trimethoxyphenyl)naphthalene?
The IUPAC name of 1,2,3-trimethoxy-6,7-dimethyl-5-(3,4,5-trimethoxyphenyl)naphthalene (CID 11750268) is 1,2,3-trimethoxy-6,7-dimethyl-5-(3,4,5-trimethoxyphenyl)naphthalene.
What is the SMILES notation for 1,2,3-trimethoxy-6,7-dimethyl-5-(3,4,5-trimethoxyphenyl)naphthalene?
The canonical SMILES for 1,2,3-trimethoxy-6,7-dimethyl-5-(3,4,5-trimethoxyphenyl)naphthalene is COc1cc(-c2c(C)c(C)cc3c(OC)c(OC)c(OC)cc23)cc(OC)c1OC.
What is the InChIKey of 1,2,3-trimethoxy-6,7-dimethyl-5-(3,4,5-trimethoxyphenyl)naphthalene?
The InChIKey is HTYHMAMJXVCTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O6/c1-13-9-17-16(12-20(27-5)24(30-8)22(17)28-6)21(14(13)2)15-10-18(25-3)23(29-7)19(11-15)26-4/h9-12H,1-8H3.
What are the key properties of 1,2,3-trimethoxy-6,7-dimethyl-5-(3,4,5-trimethoxyphenyl)naphthalene?
1,2,3-trimethoxy-6,7-dimethyl-5-(3,4,5-trimethoxyphenyl)naphthalene has a molecular weight of 412.48 g/mol, XLogP of 5.18, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethoxy-6,7-dimethyl-5-(3,4,5-trimethoxyphenyl)naphthalene is sourced from PubChem (CID 11750268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).