3-chloro-7-hydroxy-4-methylchromen-2-one;oxo(dipropoxy)phosphanium

C16H21ClO6P+ — CID 57348540

IUPAC3-chloro-7-hydroxy-4-methylchromen-2-one;oxo(dipropoxy)phosphanium
SMILESCCCO[P+](=O)OCCC.Cc1c(Cl)c(=O)oc2cc(O)ccc12
InChIInChI=1S/C10H7ClO3.C6H14O3P/c1-5-7-3-2-6(12)4-8(7)14-10(13)9(5)11;1-3-5-8-10(7)9-6-4-2/h2-4,12H,1H3;3-6H2,1-2H3/q;+1
InChIKeyMBUWDVQXKRVXAD-UHFFFAOYSA-N
MW375.77 g/mol
LogP4.96
Rot. Bonds6

About 3-chloro-7-hydroxy-4-methylchromen-2-one;oxo(dipropoxy)phosphanium

3-chloro-7-hydroxy-4-methylchromen-2-one;oxo(dipropoxy)phosphanium (PubChem CID 57348540) has the molecular formula C16H21ClO6P+ and a molecular weight of 375.77 g/mol. Its IUPAC name is 3-chloro-7-hydroxy-4-methylchromen-2-one;oxo(dipropoxy)phosphanium.

Molecular Properties

Compound Name3-chloro-7-hydroxy-4-methylchromen-2-one;oxo(dipropoxy)phosphanium
PubChem CID57348540
Molecular FormulaC16H21ClO6P+
Molecular Weight375.77 g/mol
Exact Mass375.08
IUPAC Name3-chloro-7-hydroxy-4-methylchromen-2-one;oxo(dipropoxy)phosphanium
SMILESCCCO[P+](=O)OCCC.Cc1c(Cl)c(=O)oc2cc(O)ccc12
InChIInChI=1S/C10H7ClO3.C6H14O3P/c1-5-7-3-2-6(12)4-8(7)14-10(13)9(5)11;1-3-5-8-10(7)9-6-4-2/h2-4,12H,1H3;3-6H2,1-2H3/q;+1
InChIKeyMBUWDVQXKRVXAD-UHFFFAOYSA-N
XLogP4.96
TPSA85.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.77
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

bis(3-chloropropoxy)-oxophosphanium;3-chloro-7-hydroxy-4-methylchromen-2-one
CID 57350031
3-chloro-7-hydroxy-4-methylchromen-2-one;hexadecanoic acid
CID 86592256
7-hydroxy-3-[(7-hydroxy-4-methyl-2-oxochromen-3-yl)methyl]-4-methylchromen-2-one
CID 10473941
3-(2-ethylbut-1-enyl)-7-hydroxy-4-methylchromen-2-one
CID 170746218
benzene-1,3-diol;3-chloro-4,7-dimethylchromen-2-one;ethyl 3-oxobutanoate;7-hydroxy-4-methylchromen-2-one
CID 159980693
4-ethyl-7-hydroxy-3-methylchromen-2-one
CID 13309299
7-hydroxy-4-methyl-3-phosphanylchromen-2-one
CID 88515701
7-hydroxy-3-(4-hydroxyphenyl)-4-methylchromen-2-one
CID 10221024
2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetate
CID 6921838
7-hydroxy-3-(4-hydroxy-2-methylphenyl)-4-methylchromen-2-one
CID 89042295
CID 88930307
CID 88930307
3-chloro-7-[dimethylamino(ethoxy)phosphoryl]oxy-4-methylchromen-2-one
CID 11695905

Frequently Asked Questions

What is the IUPAC name of 3-chloro-7-hydroxy-4-methylchromen-2-one;oxo(dipropoxy)phosphanium?
The IUPAC name of 3-chloro-7-hydroxy-4-methylchromen-2-one;oxo(dipropoxy)phosphanium (CID 57348540) is 3-chloro-7-hydroxy-4-methylchromen-2-one;oxo(dipropoxy)phosphanium.
What is the SMILES notation for 3-chloro-7-hydroxy-4-methylchromen-2-one;oxo(dipropoxy)phosphanium?
The canonical SMILES for 3-chloro-7-hydroxy-4-methylchromen-2-one;oxo(dipropoxy)phosphanium is CCCO[P+](=O)OCCC.Cc1c(Cl)c(=O)oc2cc(O)ccc12.
What is the InChIKey of 3-chloro-7-hydroxy-4-methylchromen-2-one;oxo(dipropoxy)phosphanium?
The InChIKey is MBUWDVQXKRVXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClO3.C6H14O3P/c1-5-7-3-2-6(12)4-8(7)14-10(13)9(5)11;1-3-5-8-10(7)9-6-4-2/h2-4,12H,1H3;3-6H2,1-2H3/q;+1.
What are the key properties of 3-chloro-7-hydroxy-4-methylchromen-2-one;oxo(dipropoxy)phosphanium?
3-chloro-7-hydroxy-4-methylchromen-2-one;oxo(dipropoxy)phosphanium has a molecular weight of 375.77 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7-hydroxy-4-methylchromen-2-one;oxo(dipropoxy)phosphanium is sourced from PubChem (CID 57348540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).