2-methyl-5-[4-(4-propan-2-ylphenyl)-1,5,6,7-tetrahydro-s-indacen-2-yl]furan

C26H26O — CID 175335786

IUPAC2-methyl-5-[4-(4-propan-2-ylphenyl)-1,5,6,7-tetrahydro-s-indacen-2-yl]furan
SMILESCc1ccc(C2=Cc3c(cc4c(c3-c3ccc(C(C)C)cc3)CCC4)C2)o1
InChIInChI=1S/C26H26O/c1-16(2)18-8-10-19(11-9-18)26-23-6-4-5-20(23)13-21-14-22(15-24(21)26)25-12-7-17(3)27-25/h7-13,15-16H,4-6,14H2,1-3H3
InChIKeySDBGWBJFJJGXMY-UHFFFAOYSA-N
MW354.49 g/mol
LogP6.96
Rot. Bonds3

About 2-methyl-5-[4-(4-propan-2-ylphenyl)-1,5,6,7-tetrahydro-s-indacen-2-yl]furan

2-methyl-5-[4-(4-propan-2-ylphenyl)-1,5,6,7-tetrahydro-s-indacen-2-yl]furan (PubChem CID 175335786) has the molecular formula C26H26O and a molecular weight of 354.49 g/mol. Its IUPAC name is 2-methyl-5-[4-(4-propan-2-ylphenyl)-1,5,6,7-tetrahydro-s-indacen-2-yl]furan.

Molecular Properties

Compound Name2-methyl-5-[4-(4-propan-2-ylphenyl)-1,5,6,7-tetrahydro-s-indacen-2-yl]furan
PubChem CID175335786
Molecular FormulaC26H26O
Molecular Weight354.49 g/mol
Exact Mass354.20
IUPAC Name2-methyl-5-[4-(4-propan-2-ylphenyl)-1,5,6,7-tetrahydro-s-indacen-2-yl]furan
SMILESCc1ccc(C2=Cc3c(cc4c(c3-c3ccc(C(C)C)cc3)CCC4)C2)o1
InChIInChI=1S/C26H26O/c1-16(2)18-8-10-19(11-9-18)26-23-6-4-5-20(23)13-21-14-22(15-24(21)26)25-12-7-17(3)27-25/h7-13,15-16H,4-6,14H2,1-3H3
InChIKeySDBGWBJFJJGXMY-UHFFFAOYSA-N
XLogP6.96
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.49
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-(4-propan-2-ylphenyl)-1,5,6,7-tetrahydro-s-indacen-2-yl]furan?
The IUPAC name of 2-methyl-5-[4-(4-propan-2-ylphenyl)-1,5,6,7-tetrahydro-s-indacen-2-yl]furan (CID 175335786) is 2-methyl-5-[4-(4-propan-2-ylphenyl)-1,5,6,7-tetrahydro-s-indacen-2-yl]furan.
What is the SMILES notation for 2-methyl-5-[4-(4-propan-2-ylphenyl)-1,5,6,7-tetrahydro-s-indacen-2-yl]furan?
The canonical SMILES for 2-methyl-5-[4-(4-propan-2-ylphenyl)-1,5,6,7-tetrahydro-s-indacen-2-yl]furan is Cc1ccc(C2=Cc3c(cc4c(c3-c3ccc(C(C)C)cc3)CCC4)C2)o1.
What is the InChIKey of 2-methyl-5-[4-(4-propan-2-ylphenyl)-1,5,6,7-tetrahydro-s-indacen-2-yl]furan?
The InChIKey is SDBGWBJFJJGXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26O/c1-16(2)18-8-10-19(11-9-18)26-23-6-4-5-20(23)13-21-14-22(15-24(21)26)25-12-7-17(3)27-25/h7-13,15-16H,4-6,14H2,1-3H3.
What are the key properties of 2-methyl-5-[4-(4-propan-2-ylphenyl)-1,5,6,7-tetrahydro-s-indacen-2-yl]furan?
2-methyl-5-[4-(4-propan-2-ylphenyl)-1,5,6,7-tetrahydro-s-indacen-2-yl]furan has a molecular weight of 354.49 g/mol, XLogP of 6.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-(4-propan-2-ylphenyl)-1,5,6,7-tetrahydro-s-indacen-2-yl]furan is sourced from PubChem (CID 175335786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).