(3,6-dimethoxynaphthalen-2-yl)-naphthalen-2-ylmethanone

C23H18O3 — CID 123555772

IUPAC(3,6-dimethoxynaphthalen-2-yl)-naphthalen-2-ylmethanone
SMILESCOc1ccc2cc(C(=O)c3ccc4ccccc4c3)c(OC)cc2c1
InChIInChI=1S/C23H18O3/c1-25-20-10-9-17-13-21(22(26-2)14-19(17)12-20)23(24)18-8-7-15-5-3-4-6-16(15)11-18/h3-14H,1-2H3
InChIKeyRSHHVTKQYVQPAD-UHFFFAOYSA-N
MW342.39 g/mol
LogP5.24
Rot. Bonds4

About (3,6-dimethoxynaphthalen-2-yl)-naphthalen-2-ylmethanone

(3,6-dimethoxynaphthalen-2-yl)-naphthalen-2-ylmethanone (PubChem CID 123555772) has the molecular formula C23H18O3 and a molecular weight of 342.39 g/mol. Its IUPAC name is (3,6-dimethoxynaphthalen-2-yl)-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name(3,6-dimethoxynaphthalen-2-yl)-naphthalen-2-ylmethanone
PubChem CID123555772
Molecular FormulaC23H18O3
Molecular Weight342.39 g/mol
Exact Mass342.13
IUPAC Name(3,6-dimethoxynaphthalen-2-yl)-naphthalen-2-ylmethanone
SMILESCOc1ccc2cc(C(=O)c3ccc4ccccc4c3)c(OC)cc2c1
InChIInChI=1S/C23H18O3/c1-25-20-10-9-17-13-21(22(26-2)14-19(17)12-20)23(24)18-8-7-15-5-3-4-6-16(15)11-18/h3-14H,1-2H3
InChIKeyRSHHVTKQYVQPAD-UHFFFAOYSA-N
XLogP5.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.39
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methoxynaphthalen-2-yl)-(4-methoxyphenyl)methanone;(3-methoxynaphthalen-2-yl)-(4-methoxyphenyl)methanone;(4-methoxynaphthalen-2-yl)-(4-methoxyphenyl)methanone;(6-methoxynaphthalen-2-yl)-(4-methoxyphenyl)methanone;(7-methoxynaphthalen-2-yl)-(4-methoxyphenyl)methanone;(1-methoxynaphthalen-2-yl)-phenylmethanone;(3-methoxynaphthalen-2-yl)-phenylmethanone;(4-methoxynaphthalen-2-yl)-phenylmethanone
CID 159594087
(3-methoxynaphthalen-2-yl)-phenylmethanone
CID 15855764
7-methoxy-3-(6-methoxynaphthalene-2-carbonyl)naphthalene-2-carboxylic acid
CID 54292722
(2-chlorophenyl)-(6-methoxynaphthalen-2-yl)methanone
CID 63491320
(2-iodophenyl)-(6-methoxynaphthalen-2-yl)methanone
CID 63491327
[2-(4-methoxyphenyl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 7376931
(3-methoxythiophen-2-yl)-naphthalen-2-ylmethanone
CID 81118249
(4-fluoro-3-methoxyphenyl)-naphthalen-2-ylmethanone
CID 114970401
CID 101146176
CID 101146176
1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione
CID 102495157
3-methoxynaphthalene-2,7-dicarboxamide
CID 23118701
(6-methoxynaphthalen-2-yl)-(3-methoxythiophen-2-yl)methanone
CID 81121662

Frequently Asked Questions

What is the IUPAC name of (3,6-dimethoxynaphthalen-2-yl)-naphthalen-2-ylmethanone?
The IUPAC name of (3,6-dimethoxynaphthalen-2-yl)-naphthalen-2-ylmethanone (CID 123555772) is (3,6-dimethoxynaphthalen-2-yl)-naphthalen-2-ylmethanone.
What is the SMILES notation for (3,6-dimethoxynaphthalen-2-yl)-naphthalen-2-ylmethanone?
The canonical SMILES for (3,6-dimethoxynaphthalen-2-yl)-naphthalen-2-ylmethanone is COc1ccc2cc(C(=O)c3ccc4ccccc4c3)c(OC)cc2c1.
What is the InChIKey of (3,6-dimethoxynaphthalen-2-yl)-naphthalen-2-ylmethanone?
The InChIKey is RSHHVTKQYVQPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O3/c1-25-20-10-9-17-13-21(22(26-2)14-19(17)12-20)23(24)18-8-7-15-5-3-4-6-16(15)11-18/h3-14H,1-2H3.
What are the key properties of (3,6-dimethoxynaphthalen-2-yl)-naphthalen-2-ylmethanone?
(3,6-dimethoxynaphthalen-2-yl)-naphthalen-2-ylmethanone has a molecular weight of 342.39 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dimethoxynaphthalen-2-yl)-naphthalen-2-ylmethanone is sourced from PubChem (CID 123555772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).