[2-(difluoromethoxy)naphthalen-1-yl]-(2,3,4-trimethoxy-6-methylphenyl)methanone

C22H20F2O5 — CID 19598102

IUPAC[2-(difluoromethoxy)naphthalen-1-yl]-(2,3,4-trimethoxy-6-methylphenyl)methanone
SMILESCOc1cc(C)c(C(=O)c2c(OC(F)F)ccc3ccccc23)c(OC)c1OC
InChIInChI=1S/C22H20F2O5/c1-12-11-16(26-2)20(27-3)21(28-4)17(12)19(25)18-14-8-6-5-7-13(14)9-10-15(18)29-22(23)24/h5-11,22H,1-4H3
InChIKeyJYXMULZYBWXNOX-UHFFFAOYSA-N
MW402.39 g/mol
LogP5.01
Rot. Bonds7

About [2-(difluoromethoxy)naphthalen-1-yl]-(2,3,4-trimethoxy-6-methylphenyl)methanone

[2-(difluoromethoxy)naphthalen-1-yl]-(2,3,4-trimethoxy-6-methylphenyl)methanone (PubChem CID 19598102) has the molecular formula C22H20F2O5 and a molecular weight of 402.39 g/mol. Its IUPAC name is [2-(difluoromethoxy)naphthalen-1-yl]-(2,3,4-trimethoxy-6-methylphenyl)methanone.

Molecular Properties

Compound Name[2-(difluoromethoxy)naphthalen-1-yl]-(2,3,4-trimethoxy-6-methylphenyl)methanone
PubChem CID19598102
Molecular FormulaC22H20F2O5
Molecular Weight402.39 g/mol
Exact Mass402.13
IUPAC Name[2-(difluoromethoxy)naphthalen-1-yl]-(2,3,4-trimethoxy-6-methylphenyl)methanone
SMILESCOc1cc(C)c(C(=O)c2c(OC(F)F)ccc3ccccc23)c(OC)c1OC
InChIInChI=1S/C22H20F2O5/c1-12-11-16(26-2)20(27-3)21(28-4)17(12)19(25)18-14-8-6-5-7-13(14)9-10-15(18)29-22(23)24/h5-11,22H,1-4H3
InChIKeyJYXMULZYBWXNOX-UHFFFAOYSA-N
XLogP5.01
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.39
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methoxy-2,6-dimethylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone
CID 22671386
(3-bromo-2-methoxy-6-methylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone
CID 18185404
[4-[2,5-dimethyl-3,4-bis(2-methylnaphthalene-1-carbonyl)phenoxy]-3,6-dimethyl-2-(2-methylnaphthalene-1-carbonyl)phenyl]-(2-methylnaphthalen-1-yl)methanone
CID 141279941
[3-methyl-2-(2,3,4-trimethoxy-6-methylbenzoyl)phenyl] acetate
CID 22671378
(3,4-dimethoxy-6-methyl-2-phenylmethoxyphenyl)-(2,6-dimethylphenyl)methanone
CID 22719952
2-methoxynaphthalene-1-carbonyl chloride
CID 3016662
(3-amino-4-methoxyphenyl)-(2-methylnaphthalen-1-yl)methanone
CID 91678600
1-(4-methoxy-2-methylnaphthalen-1-yl)butan-1-one
CID 154120780
methyl 2,3,4-trimethoxy-6-methylbenzoate
CID 59466592
2,2,3,3,4,4,4-heptafluoro-1-(2-methoxynaphthalen-1-yl)butan-1-one
CID 146007268
2-methoxy-N,N-dimethylnaphthalene-1-carboxamide
CID 23279235
2-chloro-2,2-difluoro-1-(2-methoxynaphthalen-1-yl)ethanone
CID 146007256

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethoxy)naphthalen-1-yl]-(2,3,4-trimethoxy-6-methylphenyl)methanone?
The IUPAC name of [2-(difluoromethoxy)naphthalen-1-yl]-(2,3,4-trimethoxy-6-methylphenyl)methanone (CID 19598102) is [2-(difluoromethoxy)naphthalen-1-yl]-(2,3,4-trimethoxy-6-methylphenyl)methanone.
What is the SMILES notation for [2-(difluoromethoxy)naphthalen-1-yl]-(2,3,4-trimethoxy-6-methylphenyl)methanone?
The canonical SMILES for [2-(difluoromethoxy)naphthalen-1-yl]-(2,3,4-trimethoxy-6-methylphenyl)methanone is COc1cc(C)c(C(=O)c2c(OC(F)F)ccc3ccccc23)c(OC)c1OC.
What is the InChIKey of [2-(difluoromethoxy)naphthalen-1-yl]-(2,3,4-trimethoxy-6-methylphenyl)methanone?
The InChIKey is JYXMULZYBWXNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2O5/c1-12-11-16(26-2)20(27-3)21(28-4)17(12)19(25)18-14-8-6-5-7-13(14)9-10-15(18)29-22(23)24/h5-11,22H,1-4H3.
What are the key properties of [2-(difluoromethoxy)naphthalen-1-yl]-(2,3,4-trimethoxy-6-methylphenyl)methanone?
[2-(difluoromethoxy)naphthalen-1-yl]-(2,3,4-trimethoxy-6-methylphenyl)methanone has a molecular weight of 402.39 g/mol, XLogP of 5.01, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethoxy)naphthalen-1-yl]-(2,3,4-trimethoxy-6-methylphenyl)methanone is sourced from PubChem (CID 19598102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).