7-chloro-5-hydroxy-2-[4-(2-methylpropoxy)phenyl]chromen-4-one

C19H17ClO4 — CID 177372719

IUPAC7-chloro-5-hydroxy-2-[4-(2-methylpropoxy)phenyl]chromen-4-one
SMILESCC(C)COc1ccc(-c2cc(=O)c3c(O)cc(Cl)cc3o2)cc1
InChIInChI=1S/C19H17ClO4/c1-11(2)10-23-14-5-3-12(4-6-14)17-9-16(22)19-15(21)7-13(20)8-18(19)24-17/h3-9,11,21H,10H2,1-2H3
InChIKeyLIVCNFDFHAULDR-UHFFFAOYSA-N
MW344.79 g/mol
LogP4.85
Rot. Bonds4

About 7-chloro-5-hydroxy-2-[4-(2-methylpropoxy)phenyl]chromen-4-one

7-chloro-5-hydroxy-2-[4-(2-methylpropoxy)phenyl]chromen-4-one (PubChem CID 177372719) has the molecular formula C19H17ClO4 and a molecular weight of 344.79 g/mol. Its IUPAC name is 7-chloro-5-hydroxy-2-[4-(2-methylpropoxy)phenyl]chromen-4-one.

Molecular Properties

Compound Name7-chloro-5-hydroxy-2-[4-(2-methylpropoxy)phenyl]chromen-4-one
PubChem CID177372719
Molecular FormulaC19H17ClO4
Molecular Weight344.79 g/mol
Exact Mass344.08
IUPAC Name7-chloro-5-hydroxy-2-[4-(2-methylpropoxy)phenyl]chromen-4-one
SMILESCC(C)COc1ccc(-c2cc(=O)c3c(O)cc(Cl)cc3o2)cc1
InChIInChI=1S/C19H17ClO4/c1-11(2)10-23-14-5-3-12(4-6-14)17-9-16(22)19-15(21)7-13(20)8-18(19)24-17/h3-9,11,21H,10H2,1-2H3
InChIKeyLIVCNFDFHAULDR-UHFFFAOYSA-N
XLogP4.85
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.79
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydroxy-7-(3-methylbut-2-enoxy)-2-[4-(3-methylbut-2-enoxy)phenyl]chromen-4-one
CID 131859007
7-hexoxy-2-(4-hexoxyphenyl)-5-hydroxychromen-4-one
CID 132568297
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 5281617
2-(4-chlorophenyl)-5,6,7-trihydroxychromen-4-one
CID 11426691
[4-(5-hydroxy-4-oxo-7-propanoyloxychromen-2-yl)phenyl] propanoate
CID 146662894
[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl] acetate
CID 24993131
5-hydroxy-7-(2-hydroxyethoxy)-2-phenylchromen-4-one
CID 15896568
5-hydroxy-2-[3-hydroxy-4-(1-methoxypropan-2-yl)phenyl]-7-propoxychromen-4-one
CID 22376440
2-(3-chloro-4-methoxyphenyl)-5-hydroxy-7-(methoxymethoxy)chromen-4-one
CID 59152476
5-hydroxy-7-[2-[4-(5-sulfanylidenedithiol-3-yl)phenoxy]ethoxy]-2-[4-[2-[4-(5-sulfanylidenedithiol-3-yl)phenoxy]ethoxy]phenyl]chromen-4-one
CID 86582075
2-[4-(2,3-dihydroxypropoxy)phenyl]-5-methoxy-7-methylchromen-4-one
CID 130230703
5,7-dihydroxy-2-(4-methylphenyl)chromen-4-one;ethane
CID 90949026

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-hydroxy-2-[4-(2-methylpropoxy)phenyl]chromen-4-one?
The IUPAC name of 7-chloro-5-hydroxy-2-[4-(2-methylpropoxy)phenyl]chromen-4-one (CID 177372719) is 7-chloro-5-hydroxy-2-[4-(2-methylpropoxy)phenyl]chromen-4-one.
What is the SMILES notation for 7-chloro-5-hydroxy-2-[4-(2-methylpropoxy)phenyl]chromen-4-one?
The canonical SMILES for 7-chloro-5-hydroxy-2-[4-(2-methylpropoxy)phenyl]chromen-4-one is CC(C)COc1ccc(-c2cc(=O)c3c(O)cc(Cl)cc3o2)cc1.
What is the InChIKey of 7-chloro-5-hydroxy-2-[4-(2-methylpropoxy)phenyl]chromen-4-one?
The InChIKey is LIVCNFDFHAULDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClO4/c1-11(2)10-23-14-5-3-12(4-6-14)17-9-16(22)19-15(21)7-13(20)8-18(19)24-17/h3-9,11,21H,10H2,1-2H3.
What are the key properties of 7-chloro-5-hydroxy-2-[4-(2-methylpropoxy)phenyl]chromen-4-one?
7-chloro-5-hydroxy-2-[4-(2-methylpropoxy)phenyl]chromen-4-one has a molecular weight of 344.79 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-hydroxy-2-[4-(2-methylpropoxy)phenyl]chromen-4-one is sourced from PubChem (CID 177372719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).