7-[(2,4-dichlorophenyl)methoxy]-2,2,5-trimethyl-3H-chromen-4-one

C19H18Cl2O3 — CID 2727972

IUPAC7-[(2,4-dichlorophenyl)methoxy]-2,2,5-trimethyl-3H-chromen-4-one
SMILESCc1cc(OCc2ccc(Cl)cc2Cl)cc2c1C(=O)CC(C)(C)O2
InChIInChI=1S/C19H18Cl2O3/c1-11-6-14(23-10-12-4-5-13(20)7-15(12)21)8-17-18(11)16(22)9-19(2,3)24-17/h4-8H,9-10H2,1-3H3
InChIKeyBLKFXIUNQOBMCJ-UHFFFAOYSA-N
MW365.26 g/mol
LogP5.62
Rot. Bonds3

About 7-[(2,4-dichlorophenyl)methoxy]-2,2,5-trimethyl-3H-chromen-4-one

7-[(2,4-dichlorophenyl)methoxy]-2,2,5-trimethyl-3H-chromen-4-one (PubChem CID 2727972) has the molecular formula C19H18Cl2O3 and a molecular weight of 365.26 g/mol. Its IUPAC name is 7-[(2,4-dichlorophenyl)methoxy]-2,2,5-trimethyl-3H-chromen-4-one.

Molecular Properties

Compound Name7-[(2,4-dichlorophenyl)methoxy]-2,2,5-trimethyl-3H-chromen-4-one
PubChem CID2727972
Molecular FormulaC19H18Cl2O3
Molecular Weight365.26 g/mol
Exact Mass364.06
IUPAC Name7-[(2,4-dichlorophenyl)methoxy]-2,2,5-trimethyl-3H-chromen-4-one
SMILESCc1cc(OCc2ccc(Cl)cc2Cl)cc2c1C(=O)CC(C)(C)O2
InChIInChI=1S/C19H18Cl2O3/c1-11-6-14(23-10-12-4-5-13(20)7-15(12)21)8-17-18(11)16(22)9-19(2,3)24-17/h4-8H,9-10H2,1-3H3
InChIKeyBLKFXIUNQOBMCJ-UHFFFAOYSA-N
XLogP5.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.26
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[(2,4-dichlorophenyl)methoxy]-2,2,5-trimethyl-3H-chromen-4-one?
The IUPAC name of 7-[(2,4-dichlorophenyl)methoxy]-2,2,5-trimethyl-3H-chromen-4-one (CID 2727972) is 7-[(2,4-dichlorophenyl)methoxy]-2,2,5-trimethyl-3H-chromen-4-one.
What is the SMILES notation for 7-[(2,4-dichlorophenyl)methoxy]-2,2,5-trimethyl-3H-chromen-4-one?
The canonical SMILES for 7-[(2,4-dichlorophenyl)methoxy]-2,2,5-trimethyl-3H-chromen-4-one is Cc1cc(OCc2ccc(Cl)cc2Cl)cc2c1C(=O)CC(C)(C)O2.
What is the InChIKey of 7-[(2,4-dichlorophenyl)methoxy]-2,2,5-trimethyl-3H-chromen-4-one?
The InChIKey is BLKFXIUNQOBMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2O3/c1-11-6-14(23-10-12-4-5-13(20)7-15(12)21)8-17-18(11)16(22)9-19(2,3)24-17/h4-8H,9-10H2,1-3H3.
What are the key properties of 7-[(2,4-dichlorophenyl)methoxy]-2,2,5-trimethyl-3H-chromen-4-one?
7-[(2,4-dichlorophenyl)methoxy]-2,2,5-trimethyl-3H-chromen-4-one has a molecular weight of 365.26 g/mol, XLogP of 5.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,4-dichlorophenyl)methoxy]-2,2,5-trimethyl-3H-chromen-4-one is sourced from PubChem (CID 2727972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).