3,4-dimethyl-7-phenyldibenzofuran

C20H16O — CID 167687602

IUPAC3,4-dimethyl-7-phenyldibenzofuran
SMILESCc1ccc2c(oc3cc(-c4ccccc4)ccc32)c1C
InChIInChI=1S/C20H16O/c1-13-8-10-18-17-11-9-16(15-6-4-3-5-7-15)12-19(17)21-20(18)14(13)2/h3-12H,1-2H3
InChIKeyKVKYXODOMJXRGM-UHFFFAOYSA-N
MW272.35 g/mol
LogP5.87
Rot. Bonds1

About 3,4-dimethyl-7-phenyldibenzofuran

3,4-dimethyl-7-phenyldibenzofuran (PubChem CID 167687602) has the molecular formula C20H16O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3,4-dimethyl-7-phenyldibenzofuran.

Molecular Properties

Compound Name3,4-dimethyl-7-phenyldibenzofuran
PubChem CID167687602
Molecular FormulaC20H16O
Molecular Weight272.35 g/mol
Exact Mass272.12
IUPAC Name3,4-dimethyl-7-phenyldibenzofuran
SMILESCc1ccc2c(oc3cc(-c4ccccc4)ccc32)c1C
InChIInChI=1S/C20H16O/c1-13-8-10-18-17-11-9-16(15-6-4-3-5-7-15)12-19(17)21-20(18)14(13)2/h3-12H,1-2H3
InChIKeyKVKYXODOMJXRGM-UHFFFAOYSA-N
XLogP5.87
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.35
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[4-(6,7-dimethyldibenzofuran-3-yl)phenyl]-trimethylsilane
CID 167688839
6,18-diphenyl-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene
CID 135242841
3-[4-[4-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964733
5-tert-butyl-1-methyl-2-(3-methyl-7-phenyldibenzofuran-4-yl)-4-(4-phenylphenyl)pyridin-1-ium
CID 171723653
2-phenyl-4-(4-phenylphenyl)-6-[7-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 166952902
2,4-diphenyl-6-[7-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 137496589
3-methyl-7-(4-methyldibenzofuran-3-yl)dibenzofuran
CID 166921667
4-methyl-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 157259668
18-phenyl-5-(3-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene
CID 118933535
2,3-dimethyldibenzofuran;3,4-dimethyldibenzofuran;5,6-dimethyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;6,7-dimethyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;2,3-dimethyl-7-phenyldibenzofuran;2,3-dimethyl-8-phenyldibenzofuran;3,4-dimethyl-1-phenyldibenzofuran;8-(4-fluorophenyl)-2,3-dimethyldibenzofuran
CID 167664535
7-methyl-4-(7-phenyldibenzofuran-4-yl)benzo[h]quinazoline
CID 162693118
2-phenyl-4-(7-phenyldibenzofuran-3-yl)-6-(7-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 155477108

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-7-phenyldibenzofuran?
The IUPAC name of 3,4-dimethyl-7-phenyldibenzofuran (CID 167687602) is 3,4-dimethyl-7-phenyldibenzofuran.
What is the SMILES notation for 3,4-dimethyl-7-phenyldibenzofuran?
The canonical SMILES for 3,4-dimethyl-7-phenyldibenzofuran is Cc1ccc2c(oc3cc(-c4ccccc4)ccc32)c1C.
What is the InChIKey of 3,4-dimethyl-7-phenyldibenzofuran?
The InChIKey is KVKYXODOMJXRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O/c1-13-8-10-18-17-11-9-16(15-6-4-3-5-7-15)12-19(17)21-20(18)14(13)2/h3-12H,1-2H3.
What are the key properties of 3,4-dimethyl-7-phenyldibenzofuran?
3,4-dimethyl-7-phenyldibenzofuran has a molecular weight of 272.35 g/mol, XLogP of 5.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-7-phenyldibenzofuran is sourced from PubChem (CID 167687602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).