6-chloro-2-methyl-9-(5-methylfuran-2-yl)benzo[f][1]benzofuran

C18H13ClO2 — CID 11609070

IUPAC6-chloro-2-methyl-9-(5-methylfuran-2-yl)benzo[f][1]benzofuran
SMILESCc1ccc(-c2c3ccc(Cl)cc3cc3cc(C)oc23)o1
InChIInChI=1S/C18H13ClO2/c1-10-3-6-16(20-10)17-15-5-4-14(19)9-12(15)8-13-7-11(2)21-18(13)17/h3-9H,1-2H3
InChIKeyNLZSSQPFSBZCCD-UHFFFAOYSA-N
MW296.75 g/mol
LogP6.12
Rot. Bonds1

About 6-chloro-2-methyl-9-(5-methylfuran-2-yl)benzo[f][1]benzofuran

6-chloro-2-methyl-9-(5-methylfuran-2-yl)benzo[f][1]benzofuran (PubChem CID 11609070) has the molecular formula C18H13ClO2 and a molecular weight of 296.75 g/mol. Its IUPAC name is 6-chloro-2-methyl-9-(5-methylfuran-2-yl)benzo[f][1]benzofuran.

Molecular Properties

Compound Name6-chloro-2-methyl-9-(5-methylfuran-2-yl)benzo[f][1]benzofuran
PubChem CID11609070
Molecular FormulaC18H13ClO2
Molecular Weight296.75 g/mol
Exact Mass296.06
IUPAC Name6-chloro-2-methyl-9-(5-methylfuran-2-yl)benzo[f][1]benzofuran
SMILESCc1ccc(-c2c3ccc(Cl)cc3cc3cc(C)oc23)o1
InChIInChI=1S/C18H13ClO2/c1-10-3-6-16(20-10)17-15-5-4-14(19)9-12(15)8-13-7-11(2)21-18(13)17/h3-9H,1-2H3
InChIKeyNLZSSQPFSBZCCD-UHFFFAOYSA-N
XLogP6.12
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.75
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-9-(5-methylfuran-2-yl)benzo[f][1]benzofuran?
The IUPAC name of 6-chloro-2-methyl-9-(5-methylfuran-2-yl)benzo[f][1]benzofuran (CID 11609070) is 6-chloro-2-methyl-9-(5-methylfuran-2-yl)benzo[f][1]benzofuran.
What is the SMILES notation for 6-chloro-2-methyl-9-(5-methylfuran-2-yl)benzo[f][1]benzofuran?
The canonical SMILES for 6-chloro-2-methyl-9-(5-methylfuran-2-yl)benzo[f][1]benzofuran is Cc1ccc(-c2c3ccc(Cl)cc3cc3cc(C)oc23)o1.
What is the InChIKey of 6-chloro-2-methyl-9-(5-methylfuran-2-yl)benzo[f][1]benzofuran?
The InChIKey is NLZSSQPFSBZCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClO2/c1-10-3-6-16(20-10)17-15-5-4-14(19)9-12(15)8-13-7-11(2)21-18(13)17/h3-9H,1-2H3.
What are the key properties of 6-chloro-2-methyl-9-(5-methylfuran-2-yl)benzo[f][1]benzofuran?
6-chloro-2-methyl-9-(5-methylfuran-2-yl)benzo[f][1]benzofuran has a molecular weight of 296.75 g/mol, XLogP of 6.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-9-(5-methylfuran-2-yl)benzo[f][1]benzofuran is sourced from PubChem (CID 11609070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).