2,3-bis(2-methyl-5-propan-2-ylazulen-1-yl)-1-benzofuran

C36H34O — CID 177481246

IUPAC2,3-bis(2-methyl-5-propan-2-ylazulen-1-yl)-1-benzofuran
SMILESCc1cc2cc(C(C)C)cccc-2c1-c1oc2ccccc2c1-c1c(C)cc2cc(C(C)C)cccc1-2
InChIInChI=1S/C36H34O/c1-21(2)25-11-9-14-29-27(19-25)17-23(5)33(29)35-31-13-7-8-16-32(31)37-36(35)34-24(6)18-28-20-26(22(3)4)12-10-15-30(28)34/h7-22H,1-6H3
InChIKeyRWBOOLVBFGDZBX-UHFFFAOYSA-N
MW482.67 g/mol
LogP10.84
Rot. Bonds4

About 2,3-bis(2-methyl-5-propan-2-ylazulen-1-yl)-1-benzofuran

2,3-bis(2-methyl-5-propan-2-ylazulen-1-yl)-1-benzofuran (PubChem CID 177481246) has the molecular formula C36H34O and a molecular weight of 482.67 g/mol. Its IUPAC name is 2,3-bis(2-methyl-5-propan-2-ylazulen-1-yl)-1-benzofuran.

Molecular Properties

Compound Name2,3-bis(2-methyl-5-propan-2-ylazulen-1-yl)-1-benzofuran
PubChem CID177481246
Molecular FormulaC36H34O
Molecular Weight482.67 g/mol
Exact Mass482.26
IUPAC Name2,3-bis(2-methyl-5-propan-2-ylazulen-1-yl)-1-benzofuran
SMILESCc1cc2cc(C(C)C)cccc-2c1-c1oc2ccccc2c1-c1c(C)cc2cc(C(C)C)cccc1-2
InChIInChI=1S/C36H34O/c1-21(2)25-11-9-14-29-27(19-25)17-23(5)33(29)35-31-13-7-8-16-32(31)37-36(35)34-24(6)18-28-20-26(22(3)4)12-10-15-30(28)34/h7-22H,1-6H3
InChIKeyRWBOOLVBFGDZBX-UHFFFAOYSA-N
XLogP10.84
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.67
LogP ≤ 510.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-4-phenyl-1-(3-propan-2-ylphenyl)benzene
CID 163504476
4-[4-[4-(4-propan-2-ylphenyl)phenyl]phenyl]dibenzofuran
CID 67963999
8-methyl-2-(3-methyl-1-benzofuran-2-yl)-6-propan-2-ylquinoline
CID 175769390
2-dibenzofuran-4-yl-4-propan-2-ylpyridine
CID 71236331
4-(10,10-dimethylindeno[1,2-b][1]benzofuran-1-yl)-7-propan-2-ylquinazoline
CID 168815109
6,11-bis(4-methylphenyl)indeno[1,2-c]chromene
CID 71490854
2-methyl-6-(3-propan-2-ylphenyl)aniline
CID 172649943
2-(1,3-dimethyldibenzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium
CID 140813540
1-fluoro-2-(3-propan-2-ylphenyl)benzene
CID 20871867
2-phenyl-3-propan-2-yl-1-benzofuran
CID 11536007
4-methyl-3-(3-propan-2-ylphenyl)aniline
CID 175665580
2-(3-dibenzofuran-4-yl-5-propan-2-ylphenyl)-1-phenylbenzimidazole
CID 58309599

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(2-methyl-5-propan-2-ylazulen-1-yl)-1-benzofuran?
The IUPAC name of 2,3-bis(2-methyl-5-propan-2-ylazulen-1-yl)-1-benzofuran (CID 177481246) is 2,3-bis(2-methyl-5-propan-2-ylazulen-1-yl)-1-benzofuran.
What is the SMILES notation for 2,3-bis(2-methyl-5-propan-2-ylazulen-1-yl)-1-benzofuran?
The canonical SMILES for 2,3-bis(2-methyl-5-propan-2-ylazulen-1-yl)-1-benzofuran is Cc1cc2cc(C(C)C)cccc-2c1-c1oc2ccccc2c1-c1c(C)cc2cc(C(C)C)cccc1-2.
What is the InChIKey of 2,3-bis(2-methyl-5-propan-2-ylazulen-1-yl)-1-benzofuran?
The InChIKey is RWBOOLVBFGDZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34O/c1-21(2)25-11-9-14-29-27(19-25)17-23(5)33(29)35-31-13-7-8-16-32(31)37-36(35)34-24(6)18-28-20-26(22(3)4)12-10-15-30(28)34/h7-22H,1-6H3.
What are the key properties of 2,3-bis(2-methyl-5-propan-2-ylazulen-1-yl)-1-benzofuran?
2,3-bis(2-methyl-5-propan-2-ylazulen-1-yl)-1-benzofuran has a molecular weight of 482.67 g/mol, XLogP of 10.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(2-methyl-5-propan-2-ylazulen-1-yl)-1-benzofuran is sourced from PubChem (CID 177481246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).