7-[(3-chlorophenyl)methoxy]-4,8-dimethylchromen-2-one

C18H15ClO3 — CID 969830

IUPAC7-[(3-chlorophenyl)methoxy]-4,8-dimethylchromen-2-one
SMILESCc1cc(=O)oc2c(C)c(OCc3cccc(Cl)c3)ccc12
InChIInChI=1S/C18H15ClO3/c1-11-8-17(20)22-18-12(2)16(7-6-15(11)18)21-10-13-4-3-5-14(19)9-13/h3-9H,10H2,1-2H3
InChIKeyJRZMUNPIMCBOTG-UHFFFAOYSA-N
MW314.77 g/mol
LogP4.64
Rot. Bonds3

About 7-[(3-chlorophenyl)methoxy]-4,8-dimethylchromen-2-one

7-[(3-chlorophenyl)methoxy]-4,8-dimethylchromen-2-one (PubChem CID 969830) has the molecular formula C18H15ClO3 and a molecular weight of 314.77 g/mol. Its IUPAC name is 7-[(3-chlorophenyl)methoxy]-4,8-dimethylchromen-2-one.

Molecular Properties

Compound Name7-[(3-chlorophenyl)methoxy]-4,8-dimethylchromen-2-one
PubChem CID969830
Molecular FormulaC18H15ClO3
Molecular Weight314.77 g/mol
Exact Mass314.07
IUPAC Name7-[(3-chlorophenyl)methoxy]-4,8-dimethylchromen-2-one
SMILESCc1cc(=O)oc2c(C)c(OCc3cccc(Cl)c3)ccc12
InChIInChI=1S/C18H15ClO3/c1-11-8-17(20)22-18-12(2)16(7-6-15(11)18)21-10-13-4-3-5-14(19)9-13/h3-9H,10H2,1-2H3
InChIKeyJRZMUNPIMCBOTG-UHFFFAOYSA-N
XLogP4.64
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-[(2-ethoxyphenyl)methoxy]-4,8-dimethylchromen-2-one
CID 8563743
N-[1-(3-chlorophenyl)ethyl]-2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetamide
CID 18202507
7-[(3,4-dichlorophenyl)methoxy]-4-ethyl-8-methylchromen-2-one
CID 2299030
benzyl 2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetate
CID 974991
4,8-dimethyl-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]chromen-2-one
CID 18166340
4-butyl-8-methyl-7-phenylmethoxychromen-2-one
CID 2902407
4-methyl-7-phenylmethoxy-8-propanoylchromen-2-one
CID 904800
4,8-dimethyl-7-[(1-phenyltetrazol-5-yl)methoxy]chromen-2-one
CID 18202513
(4,8-dimethyl-2-oxochromen-7-yl) 2-(2-chlorophenoxy)acetate
CID 8781718
3-[(4,8-dimethyl-2-oxochromen-7-yl)oxymethyl]-1,2,3-benzotriazin-4-one
CID 17452608
4-[(2,4-dichlorophenoxy)methyl]-7-hydroxy-8-methylchromen-2-one
CID 18291345
4-bromo-2-[(3-chlorophenyl)methoxy]-1-methylbenzene
CID 107284184

Frequently Asked Questions

What is the IUPAC name of 7-[(3-chlorophenyl)methoxy]-4,8-dimethylchromen-2-one?
The IUPAC name of 7-[(3-chlorophenyl)methoxy]-4,8-dimethylchromen-2-one (CID 969830) is 7-[(3-chlorophenyl)methoxy]-4,8-dimethylchromen-2-one.
What is the SMILES notation for 7-[(3-chlorophenyl)methoxy]-4,8-dimethylchromen-2-one?
The canonical SMILES for 7-[(3-chlorophenyl)methoxy]-4,8-dimethylchromen-2-one is Cc1cc(=O)oc2c(C)c(OCc3cccc(Cl)c3)ccc12.
What is the InChIKey of 7-[(3-chlorophenyl)methoxy]-4,8-dimethylchromen-2-one?
The InChIKey is JRZMUNPIMCBOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClO3/c1-11-8-17(20)22-18-12(2)16(7-6-15(11)18)21-10-13-4-3-5-14(19)9-13/h3-9H,10H2,1-2H3.
What are the key properties of 7-[(3-chlorophenyl)methoxy]-4,8-dimethylchromen-2-one?
7-[(3-chlorophenyl)methoxy]-4,8-dimethylchromen-2-one has a molecular weight of 314.77 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-chlorophenyl)methoxy]-4,8-dimethylchromen-2-one is sourced from PubChem (CID 969830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).