1-(2-ethylphenyl)-2,5-dimethyl-4-(2-methylphenyl)benzene;2-methyldibenzofuran;2-propyldibenzofuran

C51H48O2 — CID 143904901

IUPAC1-(2-ethylphenyl)-2,5-dimethyl-4-(2-methylphenyl)benzene;2-methyldibenzofuran;2-propyldibenzofuran
SMILESCCCc1ccc2oc3ccccc3c2c1.CCc1ccccc1-c1cc(C)c(-c2ccccc2C)cc1C.Cc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C23H24.C15H14O.C13H10O/c1-5-19-11-7-9-13-21(19)23-15-17(3)22(14-18(23)4)20-12-8-6-10-16(20)2;1-2-5-11-8-9-15-13(10-11)12-6-3-4-7-14(12)16-15;1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h6-15H,5H2,1-4H3;3-4,6-10H,2,5H2,1H3;2-8H,1H3
InChIKeyGKVYPUMGXJPNQK-UHFFFAOYSA-N
MW692.94 g/mol
LogP14.94
Rot. Bonds5

About 1-(2-ethylphenyl)-2,5-dimethyl-4-(2-methylphenyl)benzene;2-methyldibenzofuran;2-propyldibenzofuran

1-(2-ethylphenyl)-2,5-dimethyl-4-(2-methylphenyl)benzene;2-methyldibenzofuran;2-propyldibenzofuran (PubChem CID 143904901) has the molecular formula C51H48O2 and a molecular weight of 692.94 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-2,5-dimethyl-4-(2-methylphenyl)benzene;2-methyldibenzofuran;2-propyldibenzofuran.

Molecular Properties

Compound Name1-(2-ethylphenyl)-2,5-dimethyl-4-(2-methylphenyl)benzene;2-methyldibenzofuran;2-propyldibenzofuran
PubChem CID143904901
Molecular FormulaC51H48O2
Molecular Weight692.94 g/mol
Exact Mass692.37
IUPAC Name1-(2-ethylphenyl)-2,5-dimethyl-4-(2-methylphenyl)benzene;2-methyldibenzofuran;2-propyldibenzofuran
SMILESCCCc1ccc2oc3ccccc3c2c1.CCc1ccccc1-c1cc(C)c(-c2ccccc2C)cc1C.Cc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C23H24.C15H14O.C13H10O/c1-5-19-11-7-9-13-21(19)23-15-17(3)22(14-18(23)4)20-12-8-6-10-16(20)2;1-2-5-11-8-9-15-13(10-11)12-6-3-4-7-14(12)16-15;1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h6-15H,5H2,1-4H3;3-4,6-10H,2,5H2,1H3;2-8H,1H3
InChIKeyGKVYPUMGXJPNQK-UHFFFAOYSA-N
XLogP14.94
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.94
LogP ≤ 514.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 163874505
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CID 123254969
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CID 118188503
2,8-diethyldibenzofuran;3,7-diethyldibenzofuran;1,6-dimethyldibenzofuran;2,6-dimethyldibenzofuran;2,7-dimethyldibenzofuran;2,8-dimethyldibenzofuran;3,6-dimethyldibenzofuran;3,7-dimethyldibenzofuran
CID 159327549
butane;1,4-dimethyl-2-(2-methylphenyl)benzene
CID 142975298
2-dibenzofuran-2-ylethanol
CID 567048
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1-methyldibenzofuran;2-methyldibenzofuran;4-methyldibenzofuran
CID 158243493
N-(4-dibenzofuran-2-ylphenyl)-N-[4-methyl-3-(2-methylphenyl)phenyl]naphthalen-1-amine
CID 145067582
N-(dibenzofuran-2-ylmethyl)propan-1-amine
CID 19048253
2-formamidoacetic acid;2-methyldibenzofuran
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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-2,5-dimethyl-4-(2-methylphenyl)benzene;2-methyldibenzofuran;2-propyldibenzofuran?
The IUPAC name of 1-(2-ethylphenyl)-2,5-dimethyl-4-(2-methylphenyl)benzene;2-methyldibenzofuran;2-propyldibenzofuran (CID 143904901) is 1-(2-ethylphenyl)-2,5-dimethyl-4-(2-methylphenyl)benzene;2-methyldibenzofuran;2-propyldibenzofuran.
What is the SMILES notation for 1-(2-ethylphenyl)-2,5-dimethyl-4-(2-methylphenyl)benzene;2-methyldibenzofuran;2-propyldibenzofuran?
The canonical SMILES for 1-(2-ethylphenyl)-2,5-dimethyl-4-(2-methylphenyl)benzene;2-methyldibenzofuran;2-propyldibenzofuran is CCCc1ccc2oc3ccccc3c2c1.CCc1ccccc1-c1cc(C)c(-c2ccccc2C)cc1C.Cc1ccc2oc3ccccc3c2c1.
What is the InChIKey of 1-(2-ethylphenyl)-2,5-dimethyl-4-(2-methylphenyl)benzene;2-methyldibenzofuran;2-propyldibenzofuran?
The InChIKey is GKVYPUMGXJPNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24.C15H14O.C13H10O/c1-5-19-11-7-9-13-21(19)23-15-17(3)22(14-18(23)4)20-12-8-6-10-16(20)2;1-2-5-11-8-9-15-13(10-11)12-6-3-4-7-14(12)16-15;1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h6-15H,5H2,1-4H3;3-4,6-10H,2,5H2,1H3;2-8H,1H3.
What are the key properties of 1-(2-ethylphenyl)-2,5-dimethyl-4-(2-methylphenyl)benzene;2-methyldibenzofuran;2-propyldibenzofuran?
1-(2-ethylphenyl)-2,5-dimethyl-4-(2-methylphenyl)benzene;2-methyldibenzofuran;2-propyldibenzofuran has a molecular weight of 692.94 g/mol, XLogP of 14.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-2,5-dimethyl-4-(2-methylphenyl)benzene;2-methyldibenzofuran;2-propyldibenzofuran is sourced from PubChem (CID 143904901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).