3-(2,4-dimethoxyphenyl)-7-methoxy-1,2-dihydronaphthalene

C19H20O3 — CID 57081453

IUPAC3-(2,4-dimethoxyphenyl)-7-methoxy-1,2-dihydronaphthalene
SMILESCOc1ccc2c(c1)CCC(c1ccc(OC)cc1OC)=C2
InChIInChI=1S/C19H20O3/c1-20-16-7-6-13-10-15(5-4-14(13)11-16)18-9-8-17(21-2)12-19(18)22-3/h6-12H,4-5H2,1-3H3
InChIKeyORVLIQAMHNFOJE-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.20
Rot. Bonds4

About 3-(2,4-dimethoxyphenyl)-7-methoxy-1,2-dihydronaphthalene

3-(2,4-dimethoxyphenyl)-7-methoxy-1,2-dihydronaphthalene (PubChem CID 57081453) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-7-methoxy-1,2-dihydronaphthalene.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-7-methoxy-1,2-dihydronaphthalene
PubChem CID57081453
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name3-(2,4-dimethoxyphenyl)-7-methoxy-1,2-dihydronaphthalene
SMILESCOc1ccc2c(c1)CCC(c1ccc(OC)cc1OC)=C2
InChIInChI=1S/C19H20O3/c1-20-16-7-6-13-10-15(5-4-14(13)11-16)18-9-8-17(21-2)12-19(18)22-3/h6-12H,4-5H2,1-3H3
InChIKeyORVLIQAMHNFOJE-UHFFFAOYSA-N
XLogP4.20
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

3-(2-chloro-4-fluoro-3-methoxyphenyl)-7-methoxy-1,2-dihydronaphthalene
CID 54050552
2-(6-methoxy-3,4-dihydronaphthalen-2-yl)benzenesulfinic acid
CID 163478631
7-methoxy-3-(trifluoromethyl)-1,2-dihydronaphthalene
CID 132552094
2-(6-methoxy-3,4-dihydronaphthalen-2-yl)propan-2-amine
CID 105471629
2,6-dimethoxy-8,9-dihydro-7H-benzo[7]annulene
CID 143787705
1-[2-(2,4-dimethoxyphenyl)phenyl]-2,4-dimethoxybenzene
CID 70200625
7-methoxy-3-(1-methoxypropyl)-1,2-dihydronaphthalene
CID 143846492
3-(6-methoxy-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine
CID 10681104
7-[(2-methylpropan-2-yl)oxy]-3-phenyl-1,2-dihydronaphthalene
CID 150184900
3-(4-ethyl-2-fluorophenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene
CID 139961429
3,5,13-trimethoxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,8,12,14-heptaene
CID 624777
2,4,7-trimethoxy-9,10-dihydrophenanthren-3-ol
CID 24762424

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-7-methoxy-1,2-dihydronaphthalene?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-7-methoxy-1,2-dihydronaphthalene (CID 57081453) is 3-(2,4-dimethoxyphenyl)-7-methoxy-1,2-dihydronaphthalene.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-7-methoxy-1,2-dihydronaphthalene?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-7-methoxy-1,2-dihydronaphthalene is COc1ccc2c(c1)CCC(c1ccc(OC)cc1OC)=C2.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-7-methoxy-1,2-dihydronaphthalene?
The InChIKey is ORVLIQAMHNFOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c1-20-16-7-6-13-10-15(5-4-14(13)11-16)18-9-8-17(21-2)12-19(18)22-3/h6-12H,4-5H2,1-3H3.
What are the key properties of 3-(2,4-dimethoxyphenyl)-7-methoxy-1,2-dihydronaphthalene?
3-(2,4-dimethoxyphenyl)-7-methoxy-1,2-dihydronaphthalene has a molecular weight of 296.37 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-7-methoxy-1,2-dihydronaphthalene is sourced from PubChem (CID 57081453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).