[4-[(4,5-dimethoxy-2-methylphenyl)methoxy]phenyl]-(4-fluorophenyl)methanone

C23H21FO4 — CID 7795233

IUPAC[4-[(4,5-dimethoxy-2-methylphenyl)methoxy]phenyl]-(4-fluorophenyl)methanone
SMILESCOc1cc(C)c(COc2ccc(C(=O)c3ccc(F)cc3)cc2)cc1OC
InChIInChI=1S/C23H21FO4/c1-15-12-21(26-2)22(27-3)13-18(15)14-28-20-10-6-17(7-11-20)23(25)16-4-8-19(24)9-5-16/h4-13H,14H2,1-3H3
InChIKeyJGLVDTXIGWQXRY-UHFFFAOYSA-N
MW380.42 g/mol
LogP4.96
Rot. Bonds7

About [4-[(4,5-dimethoxy-2-methylphenyl)methoxy]phenyl]-(4-fluorophenyl)methanone

[4-[(4,5-dimethoxy-2-methylphenyl)methoxy]phenyl]-(4-fluorophenyl)methanone (PubChem CID 7795233) has the molecular formula C23H21FO4 and a molecular weight of 380.42 g/mol. Its IUPAC name is [4-[(4,5-dimethoxy-2-methylphenyl)methoxy]phenyl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-[(4,5-dimethoxy-2-methylphenyl)methoxy]phenyl]-(4-fluorophenyl)methanone
PubChem CID7795233
Molecular FormulaC23H21FO4
Molecular Weight380.42 g/mol
Exact Mass380.14
IUPAC Name[4-[(4,5-dimethoxy-2-methylphenyl)methoxy]phenyl]-(4-fluorophenyl)methanone
SMILESCOc1cc(C)c(COc2ccc(C(=O)c3ccc(F)cc3)cc2)cc1OC
InChIInChI=1S/C23H21FO4/c1-15-12-21(26-2)22(27-3)13-18(15)14-28-20-10-6-17(7-11-20)23(25)16-4-8-19(24)9-5-16/h4-13H,14H2,1-3H3
InChIKeyJGLVDTXIGWQXRY-UHFFFAOYSA-N
XLogP4.96
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]ethanone
CID 105371730
1-(2,4-dimethoxyphenyl)-2-[4-(4-fluorobenzoyl)phenoxy]ethanone
CID 4314291
4-[(4-fluorophenoxy)methyl]-3-methylphenol
CID 117219687
4-[2-(4-fluorophenoxy)ethoxy]-3-methoxybenzoic acid
CID 22683971
1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanone
CID 60661065
(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone
CID 14297393
(3-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 3021160
(4-fluorophenyl)-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]methanone
CID 18192008
[4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]-phenylmethanone
CID 7717780
(4-fluorophenyl)-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanone
CID 9109074
4-(4-fluorophenoxy)-3-methoxybenzoic acid
CID 170440931
5-[(5-fluoro-2-methylphenyl)methoxy]-2-methoxyaniline
CID 103201230

Frequently Asked Questions

What is the IUPAC name of [4-[(4,5-dimethoxy-2-methylphenyl)methoxy]phenyl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-[(4,5-dimethoxy-2-methylphenyl)methoxy]phenyl]-(4-fluorophenyl)methanone (CID 7795233) is [4-[(4,5-dimethoxy-2-methylphenyl)methoxy]phenyl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-[(4,5-dimethoxy-2-methylphenyl)methoxy]phenyl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-[(4,5-dimethoxy-2-methylphenyl)methoxy]phenyl]-(4-fluorophenyl)methanone is COc1cc(C)c(COc2ccc(C(=O)c3ccc(F)cc3)cc2)cc1OC.
What is the InChIKey of [4-[(4,5-dimethoxy-2-methylphenyl)methoxy]phenyl]-(4-fluorophenyl)methanone?
The InChIKey is JGLVDTXIGWQXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FO4/c1-15-12-21(26-2)22(27-3)13-18(15)14-28-20-10-6-17(7-11-20)23(25)16-4-8-19(24)9-5-16/h4-13H,14H2,1-3H3.
What are the key properties of [4-[(4,5-dimethoxy-2-methylphenyl)methoxy]phenyl]-(4-fluorophenyl)methanone?
[4-[(4,5-dimethoxy-2-methylphenyl)methoxy]phenyl]-(4-fluorophenyl)methanone has a molecular weight of 380.42 g/mol, XLogP of 4.96, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4,5-dimethoxy-2-methylphenyl)methoxy]phenyl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 7795233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).