4-[(4,7-dimethoxynaphthalen-1-yl)methyl]-1,6-dimethoxynaphthalene

C25H24O4 — CID 157306599

IUPAC4-[(4,7-dimethoxynaphthalen-1-yl)methyl]-1,6-dimethoxynaphthalene
SMILESCOc1ccc2c(OC)ccc(Cc3ccc(OC)c4ccc(OC)cc34)c2c1
InChIInChI=1S/C25H24O4/c1-26-18-7-9-20-22(14-18)16(5-11-24(20)28-3)13-17-6-12-25(29-4)21-10-8-19(27-2)15-23(17)21/h5-12,14-15H,13H2,1-4H3
InChIKeyHYBPHIMEDZTRAL-UHFFFAOYSA-N
MW388.46 g/mol
LogP5.62
Rot. Bonds6

About 4-[(4,7-dimethoxynaphthalen-1-yl)methyl]-1,6-dimethoxynaphthalene

4-[(4,7-dimethoxynaphthalen-1-yl)methyl]-1,6-dimethoxynaphthalene (PubChem CID 157306599) has the molecular formula C25H24O4 and a molecular weight of 388.46 g/mol. Its IUPAC name is 4-[(4,7-dimethoxynaphthalen-1-yl)methyl]-1,6-dimethoxynaphthalene.

Molecular Properties

Compound Name4-[(4,7-dimethoxynaphthalen-1-yl)methyl]-1,6-dimethoxynaphthalene
PubChem CID157306599
Molecular FormulaC25H24O4
Molecular Weight388.46 g/mol
Exact Mass388.17
IUPAC Name4-[(4,7-dimethoxynaphthalen-1-yl)methyl]-1,6-dimethoxynaphthalene
SMILESCOc1ccc2c(OC)ccc(Cc3ccc(OC)c4ccc(OC)cc34)c2c1
InChIInChI=1S/C25H24O4/c1-26-18-7-9-20-22(14-18)16(5-11-24(20)28-3)13-17-6-12-25(29-4)21-10-8-19(27-2)15-23(17)21/h5-12,14-15H,13H2,1-4H3
InChIKeyHYBPHIMEDZTRAL-UHFFFAOYSA-N
XLogP5.62
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.46
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,7-dimethoxynaphthalen-1-yl)butan-2-amine;hydrochloride
CID 170889238
2-amino-3-(4,7-dimethoxynaphthalen-1-yl)propan-1-ol;hydrochloride
CID 170893398
2-(4,6-dimethoxynaphthalen-1-yl)acetaldehyde
CID 57172465
6,25-dimethoxyheptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4(9),5,7,10,13,16,19,21(30),22,24(29),25,27-pentadecaene
CID 122386604
(2,3,7-trimethoxyphenanthren-9-yl)methanol
CID 71486073
1-(iodomethyl)-2,4-dimethoxybenzene
CID 91883521
1,4-dimethoxybenzo[7]annulen-7-one
CID 11042148
2-[2-(4,6-dimethoxynaphthalen-1-yl)ethyl]-2-methylbutanedioic acid
CID 71342626
bis[(2,4-dimethoxyphenyl)methyl] hydrogen phosphite
CID 69443369
2,4-dimethoxy-1-[(3-methoxyphenyl)methyl]benzene
CID 173405518
1,2,3,5-tetramethoxybenzene;1,2,4-trimethoxybenzene
CID 54271001
4,7-dimethoxyquinoline
CID 20743716

Frequently Asked Questions

What is the IUPAC name of 4-[(4,7-dimethoxynaphthalen-1-yl)methyl]-1,6-dimethoxynaphthalene?
The IUPAC name of 4-[(4,7-dimethoxynaphthalen-1-yl)methyl]-1,6-dimethoxynaphthalene (CID 157306599) is 4-[(4,7-dimethoxynaphthalen-1-yl)methyl]-1,6-dimethoxynaphthalene.
What is the SMILES notation for 4-[(4,7-dimethoxynaphthalen-1-yl)methyl]-1,6-dimethoxynaphthalene?
The canonical SMILES for 4-[(4,7-dimethoxynaphthalen-1-yl)methyl]-1,6-dimethoxynaphthalene is COc1ccc2c(OC)ccc(Cc3ccc(OC)c4ccc(OC)cc34)c2c1.
What is the InChIKey of 4-[(4,7-dimethoxynaphthalen-1-yl)methyl]-1,6-dimethoxynaphthalene?
The InChIKey is HYBPHIMEDZTRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O4/c1-26-18-7-9-20-22(14-18)16(5-11-24(20)28-3)13-17-6-12-25(29-4)21-10-8-19(27-2)15-23(17)21/h5-12,14-15H,13H2,1-4H3.
What are the key properties of 4-[(4,7-dimethoxynaphthalen-1-yl)methyl]-1,6-dimethoxynaphthalene?
4-[(4,7-dimethoxynaphthalen-1-yl)methyl]-1,6-dimethoxynaphthalene has a molecular weight of 388.46 g/mol, XLogP of 5.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,7-dimethoxynaphthalen-1-yl)methyl]-1,6-dimethoxynaphthalene is sourced from PubChem (CID 157306599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).