4-[4-[(4-chlorophenyl)methylideneamino]phenoxy]chromen-2-one

C22H14ClNO3 — CID 139236986

IUPAC4-[4-[(4-chlorophenyl)methylideneamino]phenoxy]chromen-2-one
SMILESO=c1cc(Oc2ccc(/N=C/c3ccc(Cl)cc3)cc2)c2ccccc2o1
InChIInChI=1S/C22H14ClNO3/c23-16-7-5-15(6-8-16)14-24-17-9-11-18(12-10-17)26-21-13-22(25)27-20-4-2-1-3-19(20)21/h1-14H/b24-14+
InChIKeyQFOWKBRAKJCFPW-ZVHZXABRSA-N
MW375.81 g/mol
LogP5.99
Rot. Bonds4

About 4-[4-[(4-chlorophenyl)methylideneamino]phenoxy]chromen-2-one

4-[4-[(4-chlorophenyl)methylideneamino]phenoxy]chromen-2-one (PubChem CID 139236986) has the molecular formula C22H14ClNO3 and a molecular weight of 375.81 g/mol. Its IUPAC name is 4-[4-[(4-chlorophenyl)methylideneamino]phenoxy]chromen-2-one.

Molecular Properties

Compound Name4-[4-[(4-chlorophenyl)methylideneamino]phenoxy]chromen-2-one
PubChem CID139236986
Molecular FormulaC22H14ClNO3
Molecular Weight375.81 g/mol
Exact Mass375.07
IUPAC Name4-[4-[(4-chlorophenyl)methylideneamino]phenoxy]chromen-2-one
SMILESO=c1cc(Oc2ccc(/N=C/c3ccc(Cl)cc3)cc2)c2ccccc2o1
InChIInChI=1S/C22H14ClNO3/c23-16-7-5-15(6-8-16)14-24-17-9-11-18(12-10-17)26-21-13-22(25)27-20-4-2-1-3-19(20)21/h1-14H/b24-14+
InChIKeyQFOWKBRAKJCFPW-ZVHZXABRSA-N
XLogP5.99
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.81
LogP ≤ 55.99
H-Bond Donors ≤ 50
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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Related Compounds

4-[4-[(4-methoxyphenyl)methylideneamino]phenoxy]chromen-2-one
CID 139236981
N-(4-chlorophenyl)-1-dibenzofuran-2-ylmethanimine
CID 12703740
[4-[(4-chlorophenyl)iminomethyl]phenyl] benzoate
CID 691027
4-[(1-oxo-2,3-dihydroinden-5-yl)oxy]chromen-2-one
CID 134716325
3-[(4-chlorophenyl)methylideneamino]chromen-2-one
CID 15930944
1-(4-phenoxyphenyl)-N-phenylmethanimine
CID 690951
1-(4-fluorophenyl)-N-(4-phenoxyphenyl)methanimine
CID 932026
[4-[[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenyl] 2-chlorobenzoate
CID 3095618
4-fluorosulfonyloxy-2-oxochromene
CID 121429839
4-ethoxychromen-2-one
CID 688703
N-[4-[4-[4-(benzylideneamino)phenoxy]-2,3,5,6-tetrafluorophenoxy]phenyl]-1-phenylmethanimine
CID 21205042
1-(4-chlorophenyl)-N-(4-iodophenyl)methanimine
CID 631038

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-chlorophenyl)methylideneamino]phenoxy]chromen-2-one?
The IUPAC name of 4-[4-[(4-chlorophenyl)methylideneamino]phenoxy]chromen-2-one (CID 139236986) is 4-[4-[(4-chlorophenyl)methylideneamino]phenoxy]chromen-2-one.
What is the SMILES notation for 4-[4-[(4-chlorophenyl)methylideneamino]phenoxy]chromen-2-one?
The canonical SMILES for 4-[4-[(4-chlorophenyl)methylideneamino]phenoxy]chromen-2-one is O=c1cc(Oc2ccc(/N=C/c3ccc(Cl)cc3)cc2)c2ccccc2o1.
What is the InChIKey of 4-[4-[(4-chlorophenyl)methylideneamino]phenoxy]chromen-2-one?
The InChIKey is QFOWKBRAKJCFPW-ZVHZXABRSA-N. The full InChI is InChI=1S/C22H14ClNO3/c23-16-7-5-15(6-8-16)14-24-17-9-11-18(12-10-17)26-21-13-22(25)27-20-4-2-1-3-19(20)21/h1-14H/b24-14+.
What are the key properties of 4-[4-[(4-chlorophenyl)methylideneamino]phenoxy]chromen-2-one?
4-[4-[(4-chlorophenyl)methylideneamino]phenoxy]chromen-2-one has a molecular weight of 375.81 g/mol, XLogP of 5.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-chlorophenyl)methylideneamino]phenoxy]chromen-2-one is sourced from PubChem (CID 139236986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).