3-[(2-chlorophenyl)methoxy]benzo[c]chromen-6-one

C20H13ClO3 — CID 746170

IUPAC3-[(2-chlorophenyl)methoxy]benzo[c]chromen-6-one
SMILESO=c1oc2cc(OCc3ccccc3Cl)ccc2c2ccccc12
InChIInChI=1S/C20H13ClO3/c21-18-8-4-1-5-13(18)12-23-14-9-10-16-15-6-2-3-7-17(15)20(22)24-19(16)11-14/h1-11H,12H2
InChIKeyFITYQFLNJYYSOZ-UHFFFAOYSA-N
MW336.77 g/mol
LogP5.18
Rot. Bonds3

About 3-[(2-chlorophenyl)methoxy]benzo[c]chromen-6-one

3-[(2-chlorophenyl)methoxy]benzo[c]chromen-6-one (PubChem CID 746170) has the molecular formula C20H13ClO3 and a molecular weight of 336.77 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methoxy]benzo[c]chromen-6-one.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methoxy]benzo[c]chromen-6-one
PubChem CID746170
Molecular FormulaC20H13ClO3
Molecular Weight336.77 g/mol
Exact Mass336.06
IUPAC Name3-[(2-chlorophenyl)methoxy]benzo[c]chromen-6-one
SMILESO=c1oc2cc(OCc3ccccc3Cl)ccc2c2ccccc12
InChIInChI=1S/C20H13ClO3/c21-18-8-4-1-5-13(18)12-23-14-9-10-16-15-6-2-3-7-17(15)20(22)24-19(16)11-14/h1-11H,12H2
InChIKeyFITYQFLNJYYSOZ-UHFFFAOYSA-N
XLogP5.18
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.77
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]benzo[c]chromen-6-one
CID 1332741
3-phenylmethoxybenzo[c]chromen-6-one
CID 2787564
7-[(2-chlorophenyl)methoxy]-2-methyl-3-phenoxychromen-4-one
CID 1109324
3-(2-chloroprop-2-enoxy)benzo[c]chromen-6-one
CID 806874
3-[(3-fluorophenyl)methoxy]benzo[c]chromen-6-one
CID 1121024
2-(6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 782946
3-(2-methylprop-2-enoxy)benzo[c]chromen-6-one
CID 721848
3-(4-bromophenyl)-7-[(2-chlorophenyl)methoxy]-2-methylchromen-4-one
CID 4627336
1,4-bis[(2-chlorophenyl)methoxy]benzene
CID 18515510
4-[(2-chlorophenyl)methoxy]-2-methylbenzenesulfonyl chloride
CID 60725527
8-bromo-3-phenylmethoxybenzo[c]chromen-6-one
CID 164598270
7-[(2-fluorophenyl)methoxy]-3,4-dimethylchromen-2-one
CID 744840

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methoxy]benzo[c]chromen-6-one?
The IUPAC name of 3-[(2-chlorophenyl)methoxy]benzo[c]chromen-6-one (CID 746170) is 3-[(2-chlorophenyl)methoxy]benzo[c]chromen-6-one.
What is the SMILES notation for 3-[(2-chlorophenyl)methoxy]benzo[c]chromen-6-one?
The canonical SMILES for 3-[(2-chlorophenyl)methoxy]benzo[c]chromen-6-one is O=c1oc2cc(OCc3ccccc3Cl)ccc2c2ccccc12.
What is the InChIKey of 3-[(2-chlorophenyl)methoxy]benzo[c]chromen-6-one?
The InChIKey is FITYQFLNJYYSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClO3/c21-18-8-4-1-5-13(18)12-23-14-9-10-16-15-6-2-3-7-17(15)20(22)24-19(16)11-14/h1-11H,12H2.
What are the key properties of 3-[(2-chlorophenyl)methoxy]benzo[c]chromen-6-one?
3-[(2-chlorophenyl)methoxy]benzo[c]chromen-6-one has a molecular weight of 336.77 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methoxy]benzo[c]chromen-6-one is sourced from PubChem (CID 746170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).