2-dibenzofuran-2-ylbut-2-en-1-ol;2-dibenzofuran-2-ylprop-2-en-1-ol

C31H26O4 — CID 163980863

IUPAC2-dibenzofuran-2-ylbut-2-en-1-ol;2-dibenzofuran-2-ylprop-2-en-1-ol
SMILESC=C(CO)c1ccc2oc3ccccc3c2c1.CC=C(CO)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C16H14O2.C15H12O2/c1-2-11(10-17)12-7-8-16-14(9-12)13-5-3-4-6-15(13)18-16;1-10(9-16)11-6-7-15-13(8-11)12-4-2-3-5-14(12)17-15/h2-9,17H,10H2,1H3;2-8,16H,1,9H2
InChIKeySYGKQPINLHFEKV-UHFFFAOYSA-N
MW462.55 g/mol
LogP7.57
Rot. Bonds4

About 2-dibenzofuran-2-ylbut-2-en-1-ol;2-dibenzofuran-2-ylprop-2-en-1-ol

2-dibenzofuran-2-ylbut-2-en-1-ol;2-dibenzofuran-2-ylprop-2-en-1-ol (PubChem CID 163980863) has the molecular formula C31H26O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is 2-dibenzofuran-2-ylbut-2-en-1-ol;2-dibenzofuran-2-ylprop-2-en-1-ol.

Molecular Properties

Compound Name2-dibenzofuran-2-ylbut-2-en-1-ol;2-dibenzofuran-2-ylprop-2-en-1-ol
PubChem CID163980863
Molecular FormulaC31H26O4
Molecular Weight462.55 g/mol
Exact Mass462.18
IUPAC Name2-dibenzofuran-2-ylbut-2-en-1-ol;2-dibenzofuran-2-ylprop-2-en-1-ol
SMILESC=C(CO)c1ccc2oc3ccccc3c2c1.CC=C(CO)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C16H14O2.C15H12O2/c1-2-11(10-17)12-7-8-16-14(9-12)13-5-3-4-6-15(13)18-16;1-10(9-16)11-6-7-15-13(8-11)12-4-2-3-5-14(12)17-15/h2-9,17H,10H2,1H3;2-8,16H,1,9H2
InChIKeySYGKQPINLHFEKV-UHFFFAOYSA-N
XLogP7.57
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.55
LogP ≤ 57.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-dibenzofuran-2-ylbut-2-en-1-ol;2-dibenzofuran-2-ylprop-2-en-1-ol with MolForge

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Related Compounds

2-prop-1-en-2-yldibenzofuran
CID 142504770
2-(5,7-dimethylocta-1,3,5-trien-2-yl)dibenzofuran
CID 91059261
N-[(Z)-but-2-en-2-yl]-1-dibenzofuran-2-ylpropan-1-imine
CID 170239405
[4-(dibenzofuran-2-carbonyl)phenyl]-dibenzofuran-2-ylmethanone
CID 71375763
2-[(2E,4Z)-6-(10-naphthalen-1-ylanthracen-9-yl)hepta-2,4,6-trien-3-yl]dibenzofuran
CID 166909871
dibenzofuran;ethanol
CID 174821059
1-dibenzofuran-2-yl-3-methylbutan-1-one
CID 43160223
1-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)ethanone
CID 170226916
methyl dibenzofuran-2-carboxylate
CID 3702628
2-[(1E)-2-methyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-enyl]dibenzofuran
CID 166909964
1-dibenzofuran-2-yl-2-phenylethanone
CID 15691957
1-dibenzofuran-2-yl-2-methylpropan-1-one;ethane
CID 170789790

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-ylbut-2-en-1-ol;2-dibenzofuran-2-ylprop-2-en-1-ol?
The IUPAC name of 2-dibenzofuran-2-ylbut-2-en-1-ol;2-dibenzofuran-2-ylprop-2-en-1-ol (CID 163980863) is 2-dibenzofuran-2-ylbut-2-en-1-ol;2-dibenzofuran-2-ylprop-2-en-1-ol.
What is the SMILES notation for 2-dibenzofuran-2-ylbut-2-en-1-ol;2-dibenzofuran-2-ylprop-2-en-1-ol?
The canonical SMILES for 2-dibenzofuran-2-ylbut-2-en-1-ol;2-dibenzofuran-2-ylprop-2-en-1-ol is C=C(CO)c1ccc2oc3ccccc3c2c1.CC=C(CO)c1ccc2oc3ccccc3c2c1.
What is the InChIKey of 2-dibenzofuran-2-ylbut-2-en-1-ol;2-dibenzofuran-2-ylprop-2-en-1-ol?
The InChIKey is SYGKQPINLHFEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2.C15H12O2/c1-2-11(10-17)12-7-8-16-14(9-12)13-5-3-4-6-15(13)18-16;1-10(9-16)11-6-7-15-13(8-11)12-4-2-3-5-14(12)17-15/h2-9,17H,10H2,1H3;2-8,16H,1,9H2.
What are the key properties of 2-dibenzofuran-2-ylbut-2-en-1-ol;2-dibenzofuran-2-ylprop-2-en-1-ol?
2-dibenzofuran-2-ylbut-2-en-1-ol;2-dibenzofuran-2-ylprop-2-en-1-ol has a molecular weight of 462.55 g/mol, XLogP of 7.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-ylbut-2-en-1-ol;2-dibenzofuran-2-ylprop-2-en-1-ol is sourced from PubChem (CID 163980863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).