(2,3-dimethoxyphenyl)-(2,5-dimethoxyphenyl)methanone

C17H18O5 — CID 69347574

IUPAC(2,3-dimethoxyphenyl)-(2,5-dimethoxyphenyl)methanone
SMILESCOc1ccc(OC)c(C(=O)c2cccc(OC)c2OC)c1
InChIInChI=1S/C17H18O5/c1-19-11-8-9-14(20-2)13(10-11)16(18)12-6-5-7-15(21-3)17(12)22-4/h5-10H,1-4H3
InChIKeyPAFBDLVCWJCINB-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.95
Rot. Bonds6

About (2,3-dimethoxyphenyl)-(2,5-dimethoxyphenyl)methanone

(2,3-dimethoxyphenyl)-(2,5-dimethoxyphenyl)methanone (PubChem CID 69347574) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is (2,3-dimethoxyphenyl)-(2,5-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(2,3-dimethoxyphenyl)-(2,5-dimethoxyphenyl)methanone
PubChem CID69347574
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Name(2,3-dimethoxyphenyl)-(2,5-dimethoxyphenyl)methanone
SMILESCOc1ccc(OC)c(C(=O)c2cccc(OC)c2OC)c1
InChIInChI=1S/C17H18O5/c1-19-11-8-9-14(20-2)13(10-11)16(18)12-6-5-7-15(21-3)17(12)22-4/h5-10H,1-4H3
InChIKeyPAFBDLVCWJCINB-UHFFFAOYSA-N
XLogP2.95
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,5-dimethoxyphenyl)-naphthalen-1-ylmethanone
CID 146006285
(2,3-dimethoxyphenyl)-(2-methoxyphenyl)methanone
CID 67592746
(2-chlorophenyl)-(2,5-dimethoxyphenyl)methanone
CID 623894
(2,5-dimethoxyphenyl)-(2-iodophenyl)methanone
CID 15888023
(3-chloro-2-fluorophenyl)-(2,5-dimethoxyphenyl)methanone
CID 64714149
(2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 105079993
(2,5-dimethoxyphenyl)-(3-iodophenyl)methanone
CID 43337349
2,3-dimethoxy-N-(3-methoxyphenyl)benzamide
CID 912443
2,3-dihydro-1-benzofuran-7-yl-(2,5-dimethoxyphenyl)methanone
CID 115814359
(2,4-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339638
(2-fluoro-4-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 43561172
(2,5-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanone
CID 43462543

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethoxyphenyl)-(2,5-dimethoxyphenyl)methanone?
The IUPAC name of (2,3-dimethoxyphenyl)-(2,5-dimethoxyphenyl)methanone (CID 69347574) is (2,3-dimethoxyphenyl)-(2,5-dimethoxyphenyl)methanone.
What is the SMILES notation for (2,3-dimethoxyphenyl)-(2,5-dimethoxyphenyl)methanone?
The canonical SMILES for (2,3-dimethoxyphenyl)-(2,5-dimethoxyphenyl)methanone is COc1ccc(OC)c(C(=O)c2cccc(OC)c2OC)c1.
What is the InChIKey of (2,3-dimethoxyphenyl)-(2,5-dimethoxyphenyl)methanone?
The InChIKey is PAFBDLVCWJCINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O5/c1-19-11-8-9-14(20-2)13(10-11)16(18)12-6-5-7-15(21-3)17(12)22-4/h5-10H,1-4H3.
What are the key properties of (2,3-dimethoxyphenyl)-(2,5-dimethoxyphenyl)methanone?
(2,3-dimethoxyphenyl)-(2,5-dimethoxyphenyl)methanone has a molecular weight of 302.33 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethoxyphenyl)-(2,5-dimethoxyphenyl)methanone is sourced from PubChem (CID 69347574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).