2-[4-(2-chlorophenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran

C21H17ClO — CID 87359046

IUPAC2-[4-(2-chlorophenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran
SMILESCc1ccc(C2=Cc3c(ccc(C)c3-c3ccccc3Cl)C2)o1
InChIInChI=1S/C21H17ClO/c1-13-7-9-15-11-16(20-10-8-14(2)23-20)12-18(15)21(13)17-5-3-4-6-19(17)22/h3-10,12H,11H2,1-2H3
InChIKeyKVEHPQDNZCKIDR-UHFFFAOYSA-N
MW320.82 g/mol
LogP6.31
Rot. Bonds2

About 2-[4-(2-chlorophenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran

2-[4-(2-chlorophenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran (PubChem CID 87359046) has the molecular formula C21H17ClO and a molecular weight of 320.82 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran
PubChem CID87359046
Molecular FormulaC21H17ClO
Molecular Weight320.82 g/mol
Exact Mass320.10
IUPAC Name2-[4-(2-chlorophenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran
SMILESCc1ccc(C2=Cc3c(ccc(C)c3-c3ccccc3Cl)C2)o1
InChIInChI=1S/C21H17ClO/c1-13-7-9-15-11-16(20-10-8-14(2)23-20)12-18(15)21(13)17-5-3-4-6-19(17)22/h3-10,12H,11H2,1-2H3
InChIKeyKVEHPQDNZCKIDR-UHFFFAOYSA-N
XLogP6.31
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.82
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(4-tert-butyl-2-methylphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran
CID 67328464
2-[4-(4-ethylphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran
CID 87358530
2-[4-(3,5-dimethoxyphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran
CID 67328453
2-(5,6-dimethyl-4-phenyl-1H-inden-2-yl)-5-methylfuran
CID 90153293
2-[4-(2-ethylphenyl)-5,6-dimethyl-1H-inden-2-yl]-5-methylfuran
CID 140688763
[4-[5,6-dimethyl-2-(5-methylfuran-2-yl)-1H-inden-4-yl]phenyl]methanamine
CID 160654941
2-methyl-5-[4-(4-propan-2-ylphenyl)-1,5,6,7-tetrahydro-s-indacen-2-yl]furan
CID 175335786
2-[4-(4-tert-butylphenyl)-5,6-dimethyl-1H-inden-2-yl]-5-methylfuran;dichlorozirconium
CID 174822797
CID 175184222
CID 175184222
4-(2,3-dimethylphenyl)-2,5-dimethyl-1H-indene
CID 87703570
3-(2-chlorophenyl)-2,4-dimethylthiophene
CID 154275131
2,5-dimethyl-4-phenyl-1H-indene
CID 173229793

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran?
The IUPAC name of 2-[4-(2-chlorophenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran (CID 87359046) is 2-[4-(2-chlorophenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran.
What is the SMILES notation for 2-[4-(2-chlorophenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran?
The canonical SMILES for 2-[4-(2-chlorophenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran is Cc1ccc(C2=Cc3c(ccc(C)c3-c3ccccc3Cl)C2)o1.
What is the InChIKey of 2-[4-(2-chlorophenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran?
The InChIKey is KVEHPQDNZCKIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClO/c1-13-7-9-15-11-16(20-10-8-14(2)23-20)12-18(15)21(13)17-5-3-4-6-19(17)22/h3-10,12H,11H2,1-2H3.
What are the key properties of 2-[4-(2-chlorophenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran?
2-[4-(2-chlorophenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran has a molecular weight of 320.82 g/mol, XLogP of 6.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran is sourced from PubChem (CID 87359046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).