6,7-dimethoxy-4-[(4-methoxyphenyl)methyl]-1,2-dihydronaphthalene

C20H22O3 — CID 58612274

IUPAC6,7-dimethoxy-4-[(4-methoxyphenyl)methyl]-1,2-dihydronaphthalene
SMILESCOc1ccc(CC2=CCCc3cc(OC)c(OC)cc32)cc1
InChIInChI=1S/C20H22O3/c1-21-17-9-7-14(8-10-17)11-15-5-4-6-16-12-19(22-2)20(23-3)13-18(15)16/h5,7-10,12-13H,4,6,11H2,1-3H3
InChIKeyYFLHLAJFNCVQID-UHFFFAOYSA-N
MW310.39 g/mol
LogP4.28
Rot. Bonds5

About 6,7-dimethoxy-4-[(4-methoxyphenyl)methyl]-1,2-dihydronaphthalene

6,7-dimethoxy-4-[(4-methoxyphenyl)methyl]-1,2-dihydronaphthalene (PubChem CID 58612274) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is 6,7-dimethoxy-4-[(4-methoxyphenyl)methyl]-1,2-dihydronaphthalene.

Molecular Properties

Compound Name6,7-dimethoxy-4-[(4-methoxyphenyl)methyl]-1,2-dihydronaphthalene
PubChem CID58612274
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Name6,7-dimethoxy-4-[(4-methoxyphenyl)methyl]-1,2-dihydronaphthalene
SMILESCOc1ccc(CC2=CCCc3cc(OC)c(OC)cc32)cc1
InChIInChI=1S/C20H22O3/c1-21-17-9-7-14(8-10-17)11-15-5-4-6-16-12-19(22-2)20(23-3)13-18(15)16/h5,7-10,12-13H,4,6,11H2,1-3H3
InChIKeyYFLHLAJFNCVQID-UHFFFAOYSA-N
XLogP4.28
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-dimethoxy-4-(naphthalen-1-ylmethyl)-1,2-dihydronaphthalene
CID 58612282
1-(cyclobuten-1-ylmethyl)-4-methoxybenzene
CID 101057270
5,6-dimethoxy-3-(4-methoxyphenyl)-1H-indene
CID 19431302
2,3,6,7-tetramethoxy-9,10-dihydrophenanthrene
CID 848565
4-[2-(4-fluorophenyl)ethyl]-7-methoxy-1,2-dihydronaphthalene
CID 172732247
6,7-dimethoxy-2-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium
CID 7446326
1-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]-4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]benzene
CID 172870969
2-(7-methoxy-3,4-dihydronaphthalen-1-yl)-N-[2-(7-methoxy-3,4-dihydronaphthalen-1-yl)ethyl]ethanamine
CID 123816492
6,7-dimethoxy-2-[(4-methoxyphenyl)methyl]-1-undecyl-3,4-dihydroisoquinolin-2-ium
CID 86633833
1-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-3-(4-methoxyphenyl)propan-2-one
CID 4966710
(1Z)-1-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-3-(4-methoxyphenyl)propan-2-one
CID 6236084
6-methoxy-3,4-dihydronaphthalene-1-carbaldehyde
CID 13275745

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-[(4-methoxyphenyl)methyl]-1,2-dihydronaphthalene?
The IUPAC name of 6,7-dimethoxy-4-[(4-methoxyphenyl)methyl]-1,2-dihydronaphthalene (CID 58612274) is 6,7-dimethoxy-4-[(4-methoxyphenyl)methyl]-1,2-dihydronaphthalene.
What is the SMILES notation for 6,7-dimethoxy-4-[(4-methoxyphenyl)methyl]-1,2-dihydronaphthalene?
The canonical SMILES for 6,7-dimethoxy-4-[(4-methoxyphenyl)methyl]-1,2-dihydronaphthalene is COc1ccc(CC2=CCCc3cc(OC)c(OC)cc32)cc1.
What is the InChIKey of 6,7-dimethoxy-4-[(4-methoxyphenyl)methyl]-1,2-dihydronaphthalene?
The InChIKey is YFLHLAJFNCVQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O3/c1-21-17-9-7-14(8-10-17)11-15-5-4-6-16-12-19(22-2)20(23-3)13-18(15)16/h5,7-10,12-13H,4,6,11H2,1-3H3.
What are the key properties of 6,7-dimethoxy-4-[(4-methoxyphenyl)methyl]-1,2-dihydronaphthalene?
6,7-dimethoxy-4-[(4-methoxyphenyl)methyl]-1,2-dihydronaphthalene has a molecular weight of 310.39 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-[(4-methoxyphenyl)methyl]-1,2-dihydronaphthalene is sourced from PubChem (CID 58612274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).