6-methyl-2-(3-methylcyclohexa-1,5-dien-1-yl)dibenzofuran

C20H18O — CID 146532512

IUPAC6-methyl-2-(3-methylcyclohexa-1,5-dien-1-yl)dibenzofuran
SMILESCc1cccc2c1oc1ccc(C3=CC(C)CC=C3)cc12
InChIInChI=1S/C20H18O/c1-13-5-3-7-15(11-13)16-9-10-19-18(12-16)17-8-4-6-14(2)20(17)21-19/h3-4,6-13H,5H2,1-2H3
InChIKeyIVOCBFDHZSCTSP-UHFFFAOYSA-N
MW274.36 g/mol
LogP5.87
Rot. Bonds1

About 6-methyl-2-(3-methylcyclohexa-1,5-dien-1-yl)dibenzofuran

6-methyl-2-(3-methylcyclohexa-1,5-dien-1-yl)dibenzofuran (PubChem CID 146532512) has the molecular formula C20H18O and a molecular weight of 274.36 g/mol. Its IUPAC name is 6-methyl-2-(3-methylcyclohexa-1,5-dien-1-yl)dibenzofuran.

Molecular Properties

Compound Name6-methyl-2-(3-methylcyclohexa-1,5-dien-1-yl)dibenzofuran
PubChem CID146532512
Molecular FormulaC20H18O
Molecular Weight274.36 g/mol
Exact Mass274.14
IUPAC Name6-methyl-2-(3-methylcyclohexa-1,5-dien-1-yl)dibenzofuran
SMILESCc1cccc2c1oc1ccc(C3=CC(C)CC=C3)cc12
InChIInChI=1S/C20H18O/c1-13-5-3-7-15(11-13)16-9-10-19-18(12-16)17-8-4-6-14(2)20(17)21-19/h3-4,6-13H,5H2,1-2H3
InChIKeyIVOCBFDHZSCTSP-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 ≤ 500274.36
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-phenyl-16-[3-(16-phenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)cyclohexa-1,5-dien-1-yl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene
CID 143905918
5-[4-(N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-4-phenylanilino)phenyl]-N,N-diphenyl-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-decaen-18-amine
CID 121275494
2-[8-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]dibenzofuran-1-yl]-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 170246748
2-(6,7-dimethyl-6,7-dihydrodibenzofuran-4-yl)-6-methyldibenzofuran
CID 163479669
2-methyl-7-(6-methyldibenzofuran-3-yl)dibenzofuran
CID 139460855
4-chloro-3-methyl-1-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-2-[(Z)-prop-1-enyl]-[1]benzofuro[3,2-g]indole
CID 156510230
2-benzyl-6-methyldibenzofuran
CID 155004540
1-methyldibenzofuran;2-methyldibenzofuran;4-methyldibenzofuran
CID 158243493
6-(2-methylphenyl)-2-[2,4,6-trimethyl-3,5-bis[6-(2-methylphenyl)dibenzofuran-2-yl]phenyl]dibenzofuran
CID 130421072
6-methyl-2-[3-(6-methyldibenzofuran-2-yl)phenyl]dibenzofuran;2-methyl-8-[2-(3-methylphenyl)dibenzofuran-4-yl]dibenzofuran;2-methyl-8-[4-(3-methylphenyl)dibenzofuran-2-yl]dibenzofuran
CID 161457454
2-(3-methylcyclohexa-1,5-dien-1-yl)-4-phenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 163629155
4-(3-methylcyclohexa-2,4-dien-1-yl)dibenzofuran
CID 142397321

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(3-methylcyclohexa-1,5-dien-1-yl)dibenzofuran?
The IUPAC name of 6-methyl-2-(3-methylcyclohexa-1,5-dien-1-yl)dibenzofuran (CID 146532512) is 6-methyl-2-(3-methylcyclohexa-1,5-dien-1-yl)dibenzofuran.
What is the SMILES notation for 6-methyl-2-(3-methylcyclohexa-1,5-dien-1-yl)dibenzofuran?
The canonical SMILES for 6-methyl-2-(3-methylcyclohexa-1,5-dien-1-yl)dibenzofuran is Cc1cccc2c1oc1ccc(C3=CC(C)CC=C3)cc12.
What is the InChIKey of 6-methyl-2-(3-methylcyclohexa-1,5-dien-1-yl)dibenzofuran?
The InChIKey is IVOCBFDHZSCTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O/c1-13-5-3-7-15(11-13)16-9-10-19-18(12-16)17-8-4-6-14(2)20(17)21-19/h3-4,6-13H,5H2,1-2H3.
What are the key properties of 6-methyl-2-(3-methylcyclohexa-1,5-dien-1-yl)dibenzofuran?
6-methyl-2-(3-methylcyclohexa-1,5-dien-1-yl)dibenzofuran has a molecular weight of 274.36 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 6-methyl-2-(3-methylcyclohexa-1,5-dien-1-yl)dibenzofuran is sourced from PubChem (CID 146532512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).