1-[2-[cyclobutylidene(methoxy)methyl]-4-methylphenyl]dibenzofuran

C25H22O2 — CID 142560144

IUPAC1-[2-[cyclobutylidene(methoxy)methyl]-4-methylphenyl]dibenzofuran
SMILESCOC(=C1CCC1)c1cc(C)ccc1-c1cccc2oc3ccccc3c12
InChIInChI=1S/C25H22O2/c1-16-13-14-18(21(15-16)25(26-2)17-7-5-8-17)19-10-6-12-23-24(19)20-9-3-4-11-22(20)27-23/h3-4,6,9-15H,5,7-8H2,1-2H3
InChIKeyZMDMSNUNQYQDBS-UHFFFAOYSA-N
MW354.45 g/mol
LogP7.10
Rot. Bonds3

About 1-[2-[cyclobutylidene(methoxy)methyl]-4-methylphenyl]dibenzofuran

1-[2-[cyclobutylidene(methoxy)methyl]-4-methylphenyl]dibenzofuran (PubChem CID 142560144) has the molecular formula C25H22O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-[2-[cyclobutylidene(methoxy)methyl]-4-methylphenyl]dibenzofuran.

Molecular Properties

Compound Name1-[2-[cyclobutylidene(methoxy)methyl]-4-methylphenyl]dibenzofuran
PubChem CID142560144
Molecular FormulaC25H22O2
Molecular Weight354.45 g/mol
Exact Mass354.16
IUPAC Name1-[2-[cyclobutylidene(methoxy)methyl]-4-methylphenyl]dibenzofuran
SMILESCOC(=C1CCC1)c1cc(C)ccc1-c1cccc2oc3ccccc3c12
InChIInChI=1S/C25H22O2/c1-16-13-14-18(21(15-16)25(26-2)17-7-5-8-17)19-10-6-12-23-24(19)20-9-3-4-11-22(20)27-23/h3-4,6,9-15H,5,7-8H2,1-2H3
InChIKeyZMDMSNUNQYQDBS-UHFFFAOYSA-N
XLogP7.10
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

methyl 2-dibenzofuran-1-yl-5-sulfanylbenzoate
CID 163510552
methyl 2-dibenzofuran-1-yl-5-phenylbenzoate
CID 154647061
9-(2-dibenzofuran-1-yl-5-methylphenyl)carbazole
CID 126596660
17-bromo-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-14-one;methyl 5-bromo-2-dibenzofuran-1-ylbenzoate
CID 159293965
2-[10-(5-dibenzofuran-1-ylnaphthalen-1-yl)anthracen-9-yl]-3,5,6-trimethylbenzene-1,4-diol
CID 145126487
1-(3-dibenzofuran-1-ylphenyl)dibenzofuran
CID 170213719
9-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-3,6-dimethylcarbazole
CID 163433244
5-(4-methyl-2-phenylphenyl)naphtho[2,1-b][1]benzofuran
CID 157348273
1-[3-[3-[3-(3-dibenzofuran-1-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran
CID 90265769
2-dibenzofuran-1-ylaniline
CID 138698486
8-chloro-1-dibenzofuran-1-yldibenzofuran
CID 174292650
3-methyl-1-phenyldibenzofuran
CID 129266933

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclobutylidene(methoxy)methyl]-4-methylphenyl]dibenzofuran?
The IUPAC name of 1-[2-[cyclobutylidene(methoxy)methyl]-4-methylphenyl]dibenzofuran (CID 142560144) is 1-[2-[cyclobutylidene(methoxy)methyl]-4-methylphenyl]dibenzofuran.
What is the SMILES notation for 1-[2-[cyclobutylidene(methoxy)methyl]-4-methylphenyl]dibenzofuran?
The canonical SMILES for 1-[2-[cyclobutylidene(methoxy)methyl]-4-methylphenyl]dibenzofuran is COC(=C1CCC1)c1cc(C)ccc1-c1cccc2oc3ccccc3c12.
What is the InChIKey of 1-[2-[cyclobutylidene(methoxy)methyl]-4-methylphenyl]dibenzofuran?
The InChIKey is ZMDMSNUNQYQDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22O2/c1-16-13-14-18(21(15-16)25(26-2)17-7-5-8-17)19-10-6-12-23-24(19)20-9-3-4-11-22(20)27-23/h3-4,6,9-15H,5,7-8H2,1-2H3.
What are the key properties of 1-[2-[cyclobutylidene(methoxy)methyl]-4-methylphenyl]dibenzofuran?
1-[2-[cyclobutylidene(methoxy)methyl]-4-methylphenyl]dibenzofuran has a molecular weight of 354.45 g/mol, XLogP of 7.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclobutylidene(methoxy)methyl]-4-methylphenyl]dibenzofuran is sourced from PubChem (CID 142560144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).