6,7-dimethoxy-4-(naphthalen-1-ylmethyl)-1,2-dihydronaphthalene

C23H22O2 — CID 58612282

IUPAC6,7-dimethoxy-4-(naphthalen-1-ylmethyl)-1,2-dihydronaphthalene
SMILESCOc1cc2c(cc1OC)C(Cc1cccc3ccccc13)=CCC2
InChIInChI=1S/C23H22O2/c1-24-22-14-19-11-6-10-18(21(19)15-23(22)25-2)13-17-9-5-8-16-7-3-4-12-20(16)17/h3-5,7-10,12,14-15H,6,11,13H2,1-2H3
InChIKeyDWOHLNTZQFHYLH-UHFFFAOYSA-N
MW330.43 g/mol
LogP5.43
Rot. Bonds4

About 6,7-dimethoxy-4-(naphthalen-1-ylmethyl)-1,2-dihydronaphthalene

6,7-dimethoxy-4-(naphthalen-1-ylmethyl)-1,2-dihydronaphthalene (PubChem CID 58612282) has the molecular formula C23H22O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 6,7-dimethoxy-4-(naphthalen-1-ylmethyl)-1,2-dihydronaphthalene.

Molecular Properties

Compound Name6,7-dimethoxy-4-(naphthalen-1-ylmethyl)-1,2-dihydronaphthalene
PubChem CID58612282
Molecular FormulaC23H22O2
Molecular Weight330.43 g/mol
Exact Mass330.16
IUPAC Name6,7-dimethoxy-4-(naphthalen-1-ylmethyl)-1,2-dihydronaphthalene
SMILESCOc1cc2c(cc1OC)C(Cc1cccc3ccccc13)=CCC2
InChIInChI=1S/C23H22O2/c1-24-22-14-19-11-6-10-18(21(19)15-23(22)25-2)13-17-9-5-8-16-7-3-4-12-20(16)17/h3-5,7-10,12,14-15H,6,11,13H2,1-2H3
InChIKeyDWOHLNTZQFHYLH-UHFFFAOYSA-N
XLogP5.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-(naphthalen-1-ylmethyl)-1,2-dihydronaphthalene?
The IUPAC name of 6,7-dimethoxy-4-(naphthalen-1-ylmethyl)-1,2-dihydronaphthalene (CID 58612282) is 6,7-dimethoxy-4-(naphthalen-1-ylmethyl)-1,2-dihydronaphthalene.
What is the SMILES notation for 6,7-dimethoxy-4-(naphthalen-1-ylmethyl)-1,2-dihydronaphthalene?
The canonical SMILES for 6,7-dimethoxy-4-(naphthalen-1-ylmethyl)-1,2-dihydronaphthalene is COc1cc2c(cc1OC)C(Cc1cccc3ccccc13)=CCC2.
What is the InChIKey of 6,7-dimethoxy-4-(naphthalen-1-ylmethyl)-1,2-dihydronaphthalene?
The InChIKey is DWOHLNTZQFHYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O2/c1-24-22-14-19-11-6-10-18(21(19)15-23(22)25-2)13-17-9-5-8-16-7-3-4-12-20(16)17/h3-5,7-10,12,14-15H,6,11,13H2,1-2H3.
What are the key properties of 6,7-dimethoxy-4-(naphthalen-1-ylmethyl)-1,2-dihydronaphthalene?
6,7-dimethoxy-4-(naphthalen-1-ylmethyl)-1,2-dihydronaphthalene has a molecular weight of 330.43 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-(naphthalen-1-ylmethyl)-1,2-dihydronaphthalene is sourced from PubChem (CID 58612282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).