3-chloro-7-[(2-hydroxyphenyl)methylideneamino]-4-methylchromen-2-one

C17H12ClNO3 — CID 136966268

IUPAC3-chloro-7-[(2-hydroxyphenyl)methylideneamino]-4-methylchromen-2-one
SMILESCc1c(Cl)c(=O)oc2cc(/N=C/c3ccccc3O)ccc12
InChIInChI=1S/C17H12ClNO3/c1-10-13-7-6-12(8-15(13)22-17(21)16(10)18)19-9-11-4-2-3-5-14(11)20/h2-9,20H,1H3/b19-9+
InChIKeyZVXVWJBUYPVEQG-DJKKODMXSA-N
MW313.74 g/mol
LogP4.21
Rot. Bonds2

About 3-chloro-7-[(2-hydroxyphenyl)methylideneamino]-4-methylchromen-2-one

3-chloro-7-[(2-hydroxyphenyl)methylideneamino]-4-methylchromen-2-one (PubChem CID 136966268) has the molecular formula C17H12ClNO3 and a molecular weight of 313.74 g/mol. Its IUPAC name is 3-chloro-7-[(2-hydroxyphenyl)methylideneamino]-4-methylchromen-2-one.

Molecular Properties

Compound Name3-chloro-7-[(2-hydroxyphenyl)methylideneamino]-4-methylchromen-2-one
PubChem CID136966268
Molecular FormulaC17H12ClNO3
Molecular Weight313.74 g/mol
Exact Mass313.05
IUPAC Name3-chloro-7-[(2-hydroxyphenyl)methylideneamino]-4-methylchromen-2-one
SMILESCc1c(Cl)c(=O)oc2cc(/N=C/c3ccccc3O)ccc12
InChIInChI=1S/C17H12ClNO3/c1-10-13-7-6-12(8-15(13)22-17(21)16(10)18)19-9-11-4-2-3-5-14(11)20/h2-9,20H,1H3/b19-9+
InChIKeyZVXVWJBUYPVEQG-DJKKODMXSA-N
XLogP4.21
TPSA62.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-7-[(2-hydroxyphenyl)methylideneamino]-4-methylchromen-2-one?
The IUPAC name of 3-chloro-7-[(2-hydroxyphenyl)methylideneamino]-4-methylchromen-2-one (CID 136966268) is 3-chloro-7-[(2-hydroxyphenyl)methylideneamino]-4-methylchromen-2-one.
What is the SMILES notation for 3-chloro-7-[(2-hydroxyphenyl)methylideneamino]-4-methylchromen-2-one?
The canonical SMILES for 3-chloro-7-[(2-hydroxyphenyl)methylideneamino]-4-methylchromen-2-one is Cc1c(Cl)c(=O)oc2cc(/N=C/c3ccccc3O)ccc12.
What is the InChIKey of 3-chloro-7-[(2-hydroxyphenyl)methylideneamino]-4-methylchromen-2-one?
The InChIKey is ZVXVWJBUYPVEQG-DJKKODMXSA-N. The full InChI is InChI=1S/C17H12ClNO3/c1-10-13-7-6-12(8-15(13)22-17(21)16(10)18)19-9-11-4-2-3-5-14(11)20/h2-9,20H,1H3/b19-9+.
What are the key properties of 3-chloro-7-[(2-hydroxyphenyl)methylideneamino]-4-methylchromen-2-one?
3-chloro-7-[(2-hydroxyphenyl)methylideneamino]-4-methylchromen-2-one has a molecular weight of 313.74 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7-[(2-hydroxyphenyl)methylideneamino]-4-methylchromen-2-one is sourced from PubChem (CID 136966268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).