6-methoxy-1-(methoxymethoxy)-2-(4-methoxyphenyl)-3-methylnaphthalene

C21H22O4 — CID 68534692

IUPAC6-methoxy-1-(methoxymethoxy)-2-(4-methoxyphenyl)-3-methylnaphthalene
SMILESCOCOc1c(-c2ccc(OC)cc2)c(C)cc2cc(OC)ccc12
InChIInChI=1S/C21H22O4/c1-14-11-16-12-18(24-4)9-10-19(16)21(25-13-22-2)20(14)15-5-7-17(23-3)8-6-15/h5-12H,13H2,1-4H3
InChIKeyQXIQGVINGOTIEV-UHFFFAOYSA-N
MW338.40 g/mol
LogP4.82
Rot. Bonds6

About 6-methoxy-1-(methoxymethoxy)-2-(4-methoxyphenyl)-3-methylnaphthalene

6-methoxy-1-(methoxymethoxy)-2-(4-methoxyphenyl)-3-methylnaphthalene (PubChem CID 68534692) has the molecular formula C21H22O4 and a molecular weight of 338.40 g/mol. Its IUPAC name is 6-methoxy-1-(methoxymethoxy)-2-(4-methoxyphenyl)-3-methylnaphthalene.

Molecular Properties

Compound Name6-methoxy-1-(methoxymethoxy)-2-(4-methoxyphenyl)-3-methylnaphthalene
PubChem CID68534692
Molecular FormulaC21H22O4
Molecular Weight338.40 g/mol
Exact Mass338.15
IUPAC Name6-methoxy-1-(methoxymethoxy)-2-(4-methoxyphenyl)-3-methylnaphthalene
SMILESCOCOc1c(-c2ccc(OC)cc2)c(C)cc2cc(OC)ccc12
InChIInChI=1S/C21H22O4/c1-14-11-16-12-18(24-4)9-10-19(16)21(25-13-22-2)20(14)15-5-7-17(23-3)8-6-15/h5-12H,13H2,1-4H3
InChIKeyQXIQGVINGOTIEV-UHFFFAOYSA-N
XLogP4.82
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[6-methoxy-1-(methoxymethoxy)-3-methylnaphthalen-2-yl]oxyboronic acid
CID 142686309
2-bromo-6-methoxy-1-(methoxymethoxy)-3-propan-2-ylnaphthalene
CID 68537262
1-methoxy-4-[4-(methoxymethoxy)phenyl]benzene
CID 58029226
4-(6-methoxy-3-methyl-2-phenylnaphthalen-1-yl)oxybenzoic acid
CID 68534678
2-iodo-6-methoxy-3-methyl-1-phenylnaphthalene
CID 11603199
2-(6-methoxy-3-methyl-2-phenylnaphthalen-1-yl)oxybenzoic acid
CID 160938968
2,6-dimethoxy-1-(4-methoxyphenyl)naphthalene
CID 139203574
3-fluoro-4-(6-methoxy-3-methyl-2-phenylnaphthalen-1-yl)oxybenzaldehyde
CID 86616640
(E)-3-[4-(6-methoxy-3-methyl-2-thiophen-3-ylnaphthalen-1-yl)oxyphenyl]prop-2-enoic acid
CID 68541424
2,6,9,10-tetrakis(4-methoxyphenyl)anthracene
CID 139177810
7-methoxy-1-(7-methoxy-2-methylnaphthalen-1-yl)-2-methylnaphthalene
CID 20715432
2-bromo-1,4-dimethoxy-3-(methoxymethoxy)-5-(4-methoxyphenyl)benzene
CID 23538777

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-(methoxymethoxy)-2-(4-methoxyphenyl)-3-methylnaphthalene?
The IUPAC name of 6-methoxy-1-(methoxymethoxy)-2-(4-methoxyphenyl)-3-methylnaphthalene (CID 68534692) is 6-methoxy-1-(methoxymethoxy)-2-(4-methoxyphenyl)-3-methylnaphthalene.
What is the SMILES notation for 6-methoxy-1-(methoxymethoxy)-2-(4-methoxyphenyl)-3-methylnaphthalene?
The canonical SMILES for 6-methoxy-1-(methoxymethoxy)-2-(4-methoxyphenyl)-3-methylnaphthalene is COCOc1c(-c2ccc(OC)cc2)c(C)cc2cc(OC)ccc12.
What is the InChIKey of 6-methoxy-1-(methoxymethoxy)-2-(4-methoxyphenyl)-3-methylnaphthalene?
The InChIKey is QXIQGVINGOTIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O4/c1-14-11-16-12-18(24-4)9-10-19(16)21(25-13-22-2)20(14)15-5-7-17(23-3)8-6-15/h5-12H,13H2,1-4H3.
What are the key properties of 6-methoxy-1-(methoxymethoxy)-2-(4-methoxyphenyl)-3-methylnaphthalene?
6-methoxy-1-(methoxymethoxy)-2-(4-methoxyphenyl)-3-methylnaphthalene has a molecular weight of 338.40 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-(methoxymethoxy)-2-(4-methoxyphenyl)-3-methylnaphthalene is sourced from PubChem (CID 68534692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).