9-(3-chlorophenyl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one

C18H13ClO4 — CID 44593324

IUPAC9-(3-chlorophenyl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one
SMILESCOc1ccc2c(c1)OC1=C(C(=O)OC1)C2c1cccc(Cl)c1
InChIInChI=1S/C18H13ClO4/c1-21-12-5-6-13-14(8-12)23-15-9-22-18(20)17(15)16(13)10-3-2-4-11(19)7-10/h2-8,16H,9H2,1H3
InChIKeyNVUFSAPQMQUNRZ-UHFFFAOYSA-N
MW328.75 g/mol
LogP3.68
Rot. Bonds2

About 9-(3-chlorophenyl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one

9-(3-chlorophenyl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one (PubChem CID 44593324) has the molecular formula C18H13ClO4 and a molecular weight of 328.75 g/mol. Its IUPAC name is 9-(3-chlorophenyl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one.

Molecular Properties

Compound Name9-(3-chlorophenyl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one
PubChem CID44593324
Molecular FormulaC18H13ClO4
Molecular Weight328.75 g/mol
Exact Mass328.05
IUPAC Name9-(3-chlorophenyl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one
SMILESCOc1ccc2c(c1)OC1=C(C(=O)OC1)C2c1cccc(Cl)c1
InChIInChI=1S/C18H13ClO4/c1-21-12-5-6-13-14(8-12)23-15-9-22-18(20)17(15)16(13)10-3-2-4-11(19)7-10/h2-8,16H,9H2,1H3
InChIKeyNVUFSAPQMQUNRZ-UHFFFAOYSA-N
XLogP3.68
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.75
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(3-chlorophenyl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one?
The IUPAC name of 9-(3-chlorophenyl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one (CID 44593324) is 9-(3-chlorophenyl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one.
What is the SMILES notation for 9-(3-chlorophenyl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one?
The canonical SMILES for 9-(3-chlorophenyl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one is COc1ccc2c(c1)OC1=C(C(=O)OC1)C2c1cccc(Cl)c1.
What is the InChIKey of 9-(3-chlorophenyl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one?
The InChIKey is NVUFSAPQMQUNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClO4/c1-21-12-5-6-13-14(8-12)23-15-9-22-18(20)17(15)16(13)10-3-2-4-11(19)7-10/h2-8,16H,9H2,1H3.
What are the key properties of 9-(3-chlorophenyl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one?
9-(3-chlorophenyl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one has a molecular weight of 328.75 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-chlorophenyl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one is sourced from PubChem (CID 44593324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).