2-[2-(furan-2-yl)ethenyl]-3-(3-hydroxy-3-methylbutyl)-5,6-dimethylbenzene-1,4-diol

C19H24O4 — CID 123608582

IUPAC2-[2-(furan-2-yl)ethenyl]-3-(3-hydroxy-3-methylbutyl)-5,6-dimethylbenzene-1,4-diol
SMILESCc1c(C)c(O)c(CCC(C)(C)O)c(C=Cc2ccco2)c1O
InChIInChI=1S/C19H24O4/c1-12-13(2)18(21)16(9-10-19(3,4)22)15(17(12)20)8-7-14-6-5-11-23-14/h5-8,11,20-22H,9-10H2,1-4H3
InChIKeyQSCOJAATDSZQQE-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.18
Rot. Bonds5

About 2-[2-(furan-2-yl)ethenyl]-3-(3-hydroxy-3-methylbutyl)-5,6-dimethylbenzene-1,4-diol

2-[2-(furan-2-yl)ethenyl]-3-(3-hydroxy-3-methylbutyl)-5,6-dimethylbenzene-1,4-diol (PubChem CID 123608582) has the molecular formula C19H24O4 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)ethenyl]-3-(3-hydroxy-3-methylbutyl)-5,6-dimethylbenzene-1,4-diol.

Molecular Properties

Compound Name2-[2-(furan-2-yl)ethenyl]-3-(3-hydroxy-3-methylbutyl)-5,6-dimethylbenzene-1,4-diol
PubChem CID123608582
Molecular FormulaC19H24O4
Molecular Weight316.40 g/mol
Exact Mass316.17
IUPAC Name2-[2-(furan-2-yl)ethenyl]-3-(3-hydroxy-3-methylbutyl)-5,6-dimethylbenzene-1,4-diol
SMILESCc1c(C)c(O)c(CCC(C)(C)O)c(C=Cc2ccco2)c1O
InChIInChI=1S/C19H24O4/c1-12-13(2)18(21)16(9-10-19(3,4)22)15(17(12)20)8-7-14-6-5-11-23-14/h5-8,11,20-22H,9-10H2,1-4H3
InChIKeyQSCOJAATDSZQQE-UHFFFAOYSA-N
XLogP4.18
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-(3-hydroxy-3-methylbutyl)-5,6-dimethyl-3-[2-(1,3-oxazol-2-yl)ethenyl]benzene-1,4-diol
CID 137143399
2-(3-hydroxy-3-methylbutyl)-5,6-dimethyl-3-[2-(1H-pyrazol-5-yl)ethenyl]benzene-1,4-diol
CID 137103916
4-(furan-2-yl)-2-methylbut-3-en-2-ol
CID 71370744
3-(furan-2-yl)-N-methylprop-2-en-1-amine
CID 79347007
N-[3-(furan-2-yl)prop-2-enyl]-2-methylpropan-2-amine
CID 79348296
2-[(3R,7R,11R)-3-hydroxy-3,7,11,15-tetramethylhexadec-1-enyl]-5,6-dimethyl-3-propylbenzene-1,4-diol
CID 91129139
2-(3-chloroprop-1-enyl)furan
CID 54215427
N-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylaniline
CID 115865967
N-[(E)-3-(furan-2-yl)prop-2-enyl]-3,3-dimethylbutan-1-amine
CID 115865915
tert-butyl (E)-4-(furan-2-yl)but-3-enoate
CID 102382884
2-[2-[2-[2-(furan-2-yl)ethenyl]phenyl]ethenyl]furan
CID 91360504
N-[(E)-3-(furan-2-yl)prop-2-enyl]-5-methylpyridin-2-amine
CID 115865971

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)ethenyl]-3-(3-hydroxy-3-methylbutyl)-5,6-dimethylbenzene-1,4-diol?
The IUPAC name of 2-[2-(furan-2-yl)ethenyl]-3-(3-hydroxy-3-methylbutyl)-5,6-dimethylbenzene-1,4-diol (CID 123608582) is 2-[2-(furan-2-yl)ethenyl]-3-(3-hydroxy-3-methylbutyl)-5,6-dimethylbenzene-1,4-diol.
What is the SMILES notation for 2-[2-(furan-2-yl)ethenyl]-3-(3-hydroxy-3-methylbutyl)-5,6-dimethylbenzene-1,4-diol?
The canonical SMILES for 2-[2-(furan-2-yl)ethenyl]-3-(3-hydroxy-3-methylbutyl)-5,6-dimethylbenzene-1,4-diol is Cc1c(C)c(O)c(CCC(C)(C)O)c(C=Cc2ccco2)c1O.
What is the InChIKey of 2-[2-(furan-2-yl)ethenyl]-3-(3-hydroxy-3-methylbutyl)-5,6-dimethylbenzene-1,4-diol?
The InChIKey is QSCOJAATDSZQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O4/c1-12-13(2)18(21)16(9-10-19(3,4)22)15(17(12)20)8-7-14-6-5-11-23-14/h5-8,11,20-22H,9-10H2,1-4H3.
What are the key properties of 2-[2-(furan-2-yl)ethenyl]-3-(3-hydroxy-3-methylbutyl)-5,6-dimethylbenzene-1,4-diol?
2-[2-(furan-2-yl)ethenyl]-3-(3-hydroxy-3-methylbutyl)-5,6-dimethylbenzene-1,4-diol has a molecular weight of 316.40 g/mol, XLogP of 4.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)ethenyl]-3-(3-hydroxy-3-methylbutyl)-5,6-dimethylbenzene-1,4-diol is sourced from PubChem (CID 123608582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).