(6,7-dimethoxy-2-phenylnaphthalen-1-yl)-phenylmethanone

C25H20O3 — CID 102192327

IUPAC(6,7-dimethoxy-2-phenylnaphthalen-1-yl)-phenylmethanone
SMILESCOc1cc2ccc(-c3ccccc3)c(C(=O)c3ccccc3)c2cc1OC
InChIInChI=1S/C25H20O3/c1-27-22-15-19-13-14-20(17-9-5-3-6-10-17)24(21(19)16-23(22)28-2)25(26)18-11-7-4-8-12-18/h3-16H,1-2H3
InChIKeyFREAYCWTUFLEGD-UHFFFAOYSA-N
MW368.43 g/mol
LogP5.76
Rot. Bonds5

About (6,7-dimethoxy-2-phenylnaphthalen-1-yl)-phenylmethanone

(6,7-dimethoxy-2-phenylnaphthalen-1-yl)-phenylmethanone (PubChem CID 102192327) has the molecular formula C25H20O3 and a molecular weight of 368.43 g/mol. Its IUPAC name is (6,7-dimethoxy-2-phenylnaphthalen-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(6,7-dimethoxy-2-phenylnaphthalen-1-yl)-phenylmethanone
PubChem CID102192327
Molecular FormulaC25H20O3
Molecular Weight368.43 g/mol
Exact Mass368.14
IUPAC Name(6,7-dimethoxy-2-phenylnaphthalen-1-yl)-phenylmethanone
SMILESCOc1cc2ccc(-c3ccccc3)c(C(=O)c3ccccc3)c2cc1OC
InChIInChI=1S/C25H20O3/c1-27-22-15-19-13-14-20(17-9-5-3-6-10-17)24(21(19)16-23(22)28-2)25(26)18-11-7-4-8-12-18/h3-16H,1-2H3
InChIKeyFREAYCWTUFLEGD-UHFFFAOYSA-N
XLogP5.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.43
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-dimethoxy-2-phenylnaphthalen-1-amine
CID 11208231
6,7-dimethoxy-1,4-diphenylnaphthalene
CID 134090814
ethyl N-(6,7-dimethoxy-2-phenylnaphthalen-1-yl)-N-methylcarbamate
CID 11485359
(3-methoxynaphthalen-2-yl)-phenylmethanone
CID 15855764
2,6-dimethoxy-3-phenylbenzoic acid
CID 68897922
methyl 2,6-dimethoxy-3-phenylbenzoate
CID 142664398
(6,7-dimethoxy-3-phenylquinoxalin-2-yl)-phenylmethanone
CID 91474322
[2-(2,3-dimethoxyphenyl)-6-methoxynaphthalen-1-yl]-(4-methoxyphenyl)methanone
CID 19362260
2,6-dimethoxy-3-phenylbenzamide
CID 68897697
2,6-dimethoxy-3-phenylbenzoyl chloride
CID 141166869
6,7-dimethoxy-3-phenylquinoline-4-carboxylic acid
CID 18788641
(2-hydroxy-5-methoxy-3,4-diphenylphenyl)-phenylmethanone
CID 10948907

Frequently Asked Questions

What is the IUPAC name of (6,7-dimethoxy-2-phenylnaphthalen-1-yl)-phenylmethanone?
The IUPAC name of (6,7-dimethoxy-2-phenylnaphthalen-1-yl)-phenylmethanone (CID 102192327) is (6,7-dimethoxy-2-phenylnaphthalen-1-yl)-phenylmethanone.
What is the SMILES notation for (6,7-dimethoxy-2-phenylnaphthalen-1-yl)-phenylmethanone?
The canonical SMILES for (6,7-dimethoxy-2-phenylnaphthalen-1-yl)-phenylmethanone is COc1cc2ccc(-c3ccccc3)c(C(=O)c3ccccc3)c2cc1OC.
What is the InChIKey of (6,7-dimethoxy-2-phenylnaphthalen-1-yl)-phenylmethanone?
The InChIKey is FREAYCWTUFLEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20O3/c1-27-22-15-19-13-14-20(17-9-5-3-6-10-17)24(21(19)16-23(22)28-2)25(26)18-11-7-4-8-12-18/h3-16H,1-2H3.
What are the key properties of (6,7-dimethoxy-2-phenylnaphthalen-1-yl)-phenylmethanone?
(6,7-dimethoxy-2-phenylnaphthalen-1-yl)-phenylmethanone has a molecular weight of 368.43 g/mol, XLogP of 5.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dimethoxy-2-phenylnaphthalen-1-yl)-phenylmethanone is sourced from PubChem (CID 102192327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).