[2-(2,3-dimethoxyphenyl)-6-methoxynaphthalen-1-yl]-(4-methoxyphenyl)methanone

C27H24O5 — CID 19362260

IUPAC[2-(2,3-dimethoxyphenyl)-6-methoxynaphthalen-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(-c3cccc(OC)c3OC)ccc3cc(OC)ccc23)cc1
InChIInChI=1S/C27H24O5/c1-29-19-11-8-17(9-12-19)26(28)25-21-15-13-20(30-2)16-18(21)10-14-22(25)23-6-5-7-24(31-3)27(23)32-4/h5-16H,1-4H3
InChIKeyJEUZRUGFSXBCCX-UHFFFAOYSA-N
MW428.48 g/mol
LogP5.77
Rot. Bonds7

About [2-(2,3-dimethoxyphenyl)-6-methoxynaphthalen-1-yl]-(4-methoxyphenyl)methanone

[2-(2,3-dimethoxyphenyl)-6-methoxynaphthalen-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 19362260) has the molecular formula C27H24O5 and a molecular weight of 428.48 g/mol. Its IUPAC name is [2-(2,3-dimethoxyphenyl)-6-methoxynaphthalen-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(2,3-dimethoxyphenyl)-6-methoxynaphthalen-1-yl]-(4-methoxyphenyl)methanone
PubChem CID19362260
Molecular FormulaC27H24O5
Molecular Weight428.48 g/mol
Exact Mass428.16
IUPAC Name[2-(2,3-dimethoxyphenyl)-6-methoxynaphthalen-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(-c3cccc(OC)c3OC)ccc3cc(OC)ccc23)cc1
InChIInChI=1S/C27H24O5/c1-29-19-11-8-17(9-12-19)26(28)25-21-15-13-20(30-2)16-18(21)10-14-22(25)23-6-5-7-24(31-3)27(23)32-4/h5-16H,1-4H3
InChIKeyJEUZRUGFSXBCCX-UHFFFAOYSA-N
XLogP5.77
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.48
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-3-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)benzoyl]naphthalen-2-yl]benzoic acid
CID 58877996
[6-methoxy-5-[2-methoxy-6-(4-methoxybenzoyl)naphthalen-1-yl]naphthalen-2-yl]-(4-methoxyphenyl)methanone
CID 11204032
(6-methoxynaphthalen-1-yl) acetate
CID 11424471
[2-(4-chloro-2-methoxyphenyl)-6-methoxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 19362215
[3,5-bis(trifluoromethyl)phenyl]-(2,6-dimethoxynaphthalen-1-yl)methanone
CID 138858342
(4-hydroxyphenyl)-[2-(3-methoxyphenyl)naphthalen-1-yl]methanone
CID 19362229
2-(2,3-dimethoxyphenyl)-6-(2,4-dimethoxyphenyl)pyridine
CID 90670585
2-(1-benzoyl-6-methoxynaphthalen-2-yl)acetaldehyde
CID 89131799
(2,6-dimethoxyphenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 141016567
(2,3-dimethoxyphenyl)-(2,5-dimethoxyphenyl)methanone
CID 69347574
(4-hydroxyphenyl)-[6-methoxy-2-(2-methoxyphenyl)-1-benzofuran-3-yl]methanone
CID 67680881
(6,7-dimethoxy-2-phenylnaphthalen-1-yl)-phenylmethanone
CID 102192327

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dimethoxyphenyl)-6-methoxynaphthalen-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [2-(2,3-dimethoxyphenyl)-6-methoxynaphthalen-1-yl]-(4-methoxyphenyl)methanone (CID 19362260) is [2-(2,3-dimethoxyphenyl)-6-methoxynaphthalen-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [2-(2,3-dimethoxyphenyl)-6-methoxynaphthalen-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [2-(2,3-dimethoxyphenyl)-6-methoxynaphthalen-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2c(-c3cccc(OC)c3OC)ccc3cc(OC)ccc23)cc1.
What is the InChIKey of [2-(2,3-dimethoxyphenyl)-6-methoxynaphthalen-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is JEUZRUGFSXBCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24O5/c1-29-19-11-8-17(9-12-19)26(28)25-21-15-13-20(30-2)16-18(21)10-14-22(25)23-6-5-7-24(31-3)27(23)32-4/h5-16H,1-4H3.
What are the key properties of [2-(2,3-dimethoxyphenyl)-6-methoxynaphthalen-1-yl]-(4-methoxyphenyl)methanone?
[2-(2,3-dimethoxyphenyl)-6-methoxynaphthalen-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 428.48 g/mol, XLogP of 5.77, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dimethoxyphenyl)-6-methoxynaphthalen-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 19362260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).