1,2-dibenzyl-7-methoxynaphthalene

C25H22O — CID 174540478

IUPAC1,2-dibenzyl-7-methoxynaphthalene
SMILESCOc1ccc2ccc(Cc3ccccc3)c(Cc3ccccc3)c2c1
InChIInChI=1S/C25H22O/c1-26-23-15-14-21-12-13-22(16-19-8-4-2-5-9-19)24(25(21)18-23)17-20-10-6-3-7-11-20/h2-15,18H,16-17H2,1H3
InChIKeyPFPBKZMCHQCQFW-UHFFFAOYSA-N
MW338.45 g/mol
LogP6.03
Rot. Bonds5

About 1,2-dibenzyl-7-methoxynaphthalene

1,2-dibenzyl-7-methoxynaphthalene (PubChem CID 174540478) has the molecular formula C25H22O and a molecular weight of 338.45 g/mol. Its IUPAC name is 1,2-dibenzyl-7-methoxynaphthalene.

Molecular Properties

Compound Name1,2-dibenzyl-7-methoxynaphthalene
PubChem CID174540478
Molecular FormulaC25H22O
Molecular Weight338.45 g/mol
Exact Mass338.17
IUPAC Name1,2-dibenzyl-7-methoxynaphthalene
SMILESCOc1ccc2ccc(Cc3ccccc3)c(Cc3ccccc3)c2c1
InChIInChI=1S/C25H22O/c1-26-23-15-14-21-12-13-22(16-19-8-4-2-5-9-19)24(25(21)18-23)17-20-10-6-3-7-11-20/h2-15,18H,16-17H2,1H3
InChIKeyPFPBKZMCHQCQFW-UHFFFAOYSA-N
XLogP6.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 174931223
1,2,3,4-tetrakis[(4-methoxyphenyl)methyl]benzene
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2-benzyl-5-methoxyaniline;ethane
CID 142463807
1,3-dibenzyl-7-methoxyisoquinoline
CID 141360236
2-benzyl-1-methoxynaphthalene
CID 15617899
4-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylbenzene
CID 15654338
1-benzyl-4-methoxybenzene;molecular nitrogen
CID 175140604
CID 175226407
CID 175226407
(1-ethyl-7-methoxynaphthalen-2-yl)methanamine
CID 115057640
1,5-dimethoxy-2,4-bis[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)benzene
CID 162855754
1-(7-methoxynaphthalen-1-yl)-3-phenylpropan-2-ol
CID 115506158
methyl 2-benzyl-4-methoxybenzoate
CID 166447478

Frequently Asked Questions

What is the IUPAC name of 1,2-dibenzyl-7-methoxynaphthalene?
The IUPAC name of 1,2-dibenzyl-7-methoxynaphthalene (CID 174540478) is 1,2-dibenzyl-7-methoxynaphthalene.
What is the SMILES notation for 1,2-dibenzyl-7-methoxynaphthalene?
The canonical SMILES for 1,2-dibenzyl-7-methoxynaphthalene is COc1ccc2ccc(Cc3ccccc3)c(Cc3ccccc3)c2c1.
What is the InChIKey of 1,2-dibenzyl-7-methoxynaphthalene?
The InChIKey is PFPBKZMCHQCQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22O/c1-26-23-15-14-21-12-13-22(16-19-8-4-2-5-9-19)24(25(21)18-23)17-20-10-6-3-7-11-20/h2-15,18H,16-17H2,1H3.
What are the key properties of 1,2-dibenzyl-7-methoxynaphthalene?
1,2-dibenzyl-7-methoxynaphthalene has a molecular weight of 338.45 g/mol, XLogP of 6.03, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibenzyl-7-methoxynaphthalene is sourced from PubChem (CID 174540478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).