6-chloro-3-hydroxy-2-(4-methyl-2-propan-2-yloxyphenyl)chromen-4-one

C19H17ClO4 — CID 118708576

IUPAC6-chloro-3-hydroxy-2-(4-methyl-2-propan-2-yloxyphenyl)chromen-4-one
SMILESCc1ccc(-c2oc3ccc(Cl)cc3c(=O)c2O)c(OC(C)C)c1
InChIInChI=1S/C19H17ClO4/c1-10(2)23-16-8-11(3)4-6-13(16)19-18(22)17(21)14-9-12(20)5-7-15(14)24-19/h4-10,22H,1-3H3
InChIKeyLJURFDHGYAPUNO-UHFFFAOYSA-N
MW344.79 g/mol
LogP4.91
Rot. Bonds3

About 6-chloro-3-hydroxy-2-(4-methyl-2-propan-2-yloxyphenyl)chromen-4-one

6-chloro-3-hydroxy-2-(4-methyl-2-propan-2-yloxyphenyl)chromen-4-one (PubChem CID 118708576) has the molecular formula C19H17ClO4 and a molecular weight of 344.79 g/mol. Its IUPAC name is 6-chloro-3-hydroxy-2-(4-methyl-2-propan-2-yloxyphenyl)chromen-4-one.

Molecular Properties

Compound Name6-chloro-3-hydroxy-2-(4-methyl-2-propan-2-yloxyphenyl)chromen-4-one
PubChem CID118708576
Molecular FormulaC19H17ClO4
Molecular Weight344.79 g/mol
Exact Mass344.08
IUPAC Name6-chloro-3-hydroxy-2-(4-methyl-2-propan-2-yloxyphenyl)chromen-4-one
SMILESCc1ccc(-c2oc3ccc(Cl)cc3c(=O)c2O)c(OC(C)C)c1
InChIInChI=1S/C19H17ClO4/c1-10(2)23-16-8-11(3)4-6-13(16)19-18(22)17(21)14-9-12(20)5-7-15(14)24-19/h4-10,22H,1-3H3
InChIKeyLJURFDHGYAPUNO-UHFFFAOYSA-N
XLogP4.91
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.79
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichlorophenyl)-3-hydroxy-6-methylchromen-4-one
CID 7729084
6-chloro-2-phenyl-3-propan-2-yloxychromen-4-one
CID 7746601
(2S)-2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxypropanoic acid
CID 7747088
2-(4-methyl-2-propan-2-yloxyphenyl)-4-oxochromene-6-carboxylic acid
CID 21315735
2-(3,4-dihydroxyphenyl)-3-hydroxy-6-methylchromen-4-one
CID 18372894
(2R)-2-[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoate
CID 7747167
3-hydroxy-2-(2-methoxy-5-methylphenyl)chromen-4-one
CID 71733634
6-chloro-3-ethoxy-2-(4-methylphenyl)chromen-4-one
CID 7746663
6-chloro-3-[(4-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one
CID 7746678
9-chloro-2-methylbenzo[c]chromen-6-one
CID 10490538
propan-2-yl 7-chloro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate
CID 7747297
ethyl 2-[2-(4-chlorophenyl)-7-methyl-4-oxochromen-3-yl]oxypropanoate
CID 4112757

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-hydroxy-2-(4-methyl-2-propan-2-yloxyphenyl)chromen-4-one?
The IUPAC name of 6-chloro-3-hydroxy-2-(4-methyl-2-propan-2-yloxyphenyl)chromen-4-one (CID 118708576) is 6-chloro-3-hydroxy-2-(4-methyl-2-propan-2-yloxyphenyl)chromen-4-one.
What is the SMILES notation for 6-chloro-3-hydroxy-2-(4-methyl-2-propan-2-yloxyphenyl)chromen-4-one?
The canonical SMILES for 6-chloro-3-hydroxy-2-(4-methyl-2-propan-2-yloxyphenyl)chromen-4-one is Cc1ccc(-c2oc3ccc(Cl)cc3c(=O)c2O)c(OC(C)C)c1.
What is the InChIKey of 6-chloro-3-hydroxy-2-(4-methyl-2-propan-2-yloxyphenyl)chromen-4-one?
The InChIKey is LJURFDHGYAPUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClO4/c1-10(2)23-16-8-11(3)4-6-13(16)19-18(22)17(21)14-9-12(20)5-7-15(14)24-19/h4-10,22H,1-3H3.
What are the key properties of 6-chloro-3-hydroxy-2-(4-methyl-2-propan-2-yloxyphenyl)chromen-4-one?
6-chloro-3-hydroxy-2-(4-methyl-2-propan-2-yloxyphenyl)chromen-4-one has a molecular weight of 344.79 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-hydroxy-2-(4-methyl-2-propan-2-yloxyphenyl)chromen-4-one is sourced from PubChem (CID 118708576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).