ethyl 4-hydroxy-3-phenyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-3-carboxylate

C20H20O4 — CID 10496202

IUPACethyl 4-hydroxy-3-phenyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-3-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)Oc2cccc3c2C1(O)CCC3
InChIInChI=1S/C20H20O4/c1-2-23-18(21)20(15-10-4-3-5-11-15)19(22)13-7-9-14-8-6-12-16(24-20)17(14)19/h3-6,8,10-12,22H,2,7,9,13H2,1H3
InChIKeyUQXZTVCLXATKAN-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.06
Rot. Bonds3

About ethyl 4-hydroxy-3-phenyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-3-carboxylate

ethyl 4-hydroxy-3-phenyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-3-carboxylate (PubChem CID 10496202) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is ethyl 4-hydroxy-3-phenyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-3-phenyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-3-carboxylate
PubChem CID10496202
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Nameethyl 4-hydroxy-3-phenyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-3-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)Oc2cccc3c2C1(O)CCC3
InChIInChI=1S/C20H20O4/c1-2-23-18(21)20(15-10-4-3-5-11-15)19(22)13-7-9-14-8-6-12-16(24-20)17(14)19/h3-6,8,10-12,22H,2,7,9,13H2,1H3
InChIKeyUQXZTVCLXATKAN-UHFFFAOYSA-N
XLogP3.06
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-hydroxy-3-phenyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-3-carboxylate with MolForge

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Related Compounds

ethyl 4-hydroxy-3-methyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-3-carboxylate
CID 10849058
diethyl 4,8-dihydroxy-3,9-dimethyl-2,10-dioxatetracyclo[6.5.2.04,14.011,15]pentadeca-1(14),11(15),12-triene-3,9-dicarboxylate
CID 14687004
ethyl (1S)-1-(hydroxymethyl)-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 155818705
ethyl (2S,3S)-3-(furan-2-yl)-3-hydroxy-2-phenyloxolane-2-carboxylate
CID 122379690
ethyl 2-phenyl-1,3-dihydroindene-2-carboxylate
CID 118559917
ethyl (4aS,7aR)-7a-hydroxy-3,3-diphenyl-4,5,6,7-tetrahydrocyclopenta[c][1,2]dioxine-4a-carboxylate
CID 10067601
ethyl 3-phenyl-1,4-dihydroisochromene-3-carboxylate
CID 102046505
ethyl 2-[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]acetate
CID 94425197
ethyl 1-phenylcyclopent-2-ene-1-carboxylate
CID 10420867
diethyl 2-[(2-oxo-1-phenylcyclopentyl)methyl]propanedioate
CID 132820039
ethyl (2S,3S)-2,3-dihydroxy-4-naphthalen-1-yl-2-phenyl-4H-chromene-3-carboxylate
CID 134954463
ethyl 2-oxo-1-(9H-xanthen-9-yl)cyclopentane-1-carboxylate
CID 134849802

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-3-phenyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-3-carboxylate?
The IUPAC name of ethyl 4-hydroxy-3-phenyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-3-carboxylate (CID 10496202) is ethyl 4-hydroxy-3-phenyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-3-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-3-phenyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-3-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-3-phenyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-3-carboxylate is CCOC(=O)C1(c2ccccc2)Oc2cccc3c2C1(O)CCC3.
What is the InChIKey of ethyl 4-hydroxy-3-phenyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-3-carboxylate?
The InChIKey is UQXZTVCLXATKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O4/c1-2-23-18(21)20(15-10-4-3-5-11-15)19(22)13-7-9-14-8-6-12-16(24-20)17(14)19/h3-6,8,10-12,22H,2,7,9,13H2,1H3.
What are the key properties of ethyl 4-hydroxy-3-phenyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-3-carboxylate?
ethyl 4-hydroxy-3-phenyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-3-carboxylate has a molecular weight of 324.38 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-3-phenyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-3-carboxylate is sourced from PubChem (CID 10496202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).