methyl 13-hydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-4-carboxylate

C17H16O3 — CID 118619357

IUPACmethyl 13-hydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-4-carboxylate
SMILESCOC(=O)c1ccc2c(c1)-c1ccc(O)cc1CCC2
InChIInChI=1S/C17H16O3/c1-20-17(19)13-6-5-11-3-2-4-12-9-14(18)7-8-15(12)16(11)10-13/h5-10,18H,2-4H2,1H3
InChIKeyWGRNMVIMPUERSZ-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.33
Rot. Bonds1

About methyl 13-hydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-4-carboxylate

methyl 13-hydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-4-carboxylate (PubChem CID 118619357) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is methyl 13-hydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-4-carboxylate.

Molecular Properties

Compound Namemethyl 13-hydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-4-carboxylate
PubChem CID118619357
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Namemethyl 13-hydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-4-carboxylate
SMILESCOC(=O)c1ccc2c(c1)-c1ccc(O)cc1CCC2
InChIInChI=1S/C17H16O3/c1-20-17(19)13-6-5-11-3-2-4-12-9-14(18)7-8-15(12)16(11)10-13/h5-10,18H,2-4H2,1H3
InChIKeyWGRNMVIMPUERSZ-UHFFFAOYSA-N
XLogP3.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 13-hydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-4-carboxylate with MolForge

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Related Compounds

methyl 9-hydroxy-6-methylidene-7H-benzo[d][1]benzoxepine-2-carboxylate
CID 163948539
methyl 3,4-bis(4-hydroxyphenyl)benzoate
CID 22669999
9,10-dihydrophenanthrene-2,6-diol
CID 163031531
methyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-6-carboxylate
CID 18998711
methyl 8-hydroxy-7-isocyano-5,6-dihydronaphthalene-2-carboxylate
CID 140747764
(4-methoxycarbonylphenyl)methyl 2,3-dihydro-1H-indene-5-carboxylate
CID 9010500
2-O-tert-butyl 7-O-methyl 9H-fluorene-2,7-dicarboxylate
CID 174490789
methyl 3,4-dihydro-2H-thiochromene-7-carboxylate
CID 130045362
methyl 9-methyl-6,7-dihydrobenzo[d][1]benzoxepine-2-carboxylate
CID 118654720
methyl 7-fluoro-8-oxo-6,7-dihydro-5H-naphthalene-2-carboxylate
CID 58406815
methyl 5-(trifluoromethylsulfonyloxy)-8,9-dihydro-7H-benzo[7]annulene-3-carboxylate
CID 88911410
methyl (3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylate
CID 155905494

Frequently Asked Questions

What is the IUPAC name of methyl 13-hydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-4-carboxylate?
The IUPAC name of methyl 13-hydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-4-carboxylate (CID 118619357) is methyl 13-hydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-4-carboxylate.
What is the SMILES notation for methyl 13-hydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-4-carboxylate?
The canonical SMILES for methyl 13-hydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-4-carboxylate is COC(=O)c1ccc2c(c1)-c1ccc(O)cc1CCC2.
What is the InChIKey of methyl 13-hydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-4-carboxylate?
The InChIKey is WGRNMVIMPUERSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-20-17(19)13-6-5-11-3-2-4-12-9-14(18)7-8-15(12)16(11)10-13/h5-10,18H,2-4H2,1H3.
What are the key properties of methyl 13-hydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-4-carboxylate?
methyl 13-hydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-4-carboxylate has a molecular weight of 268.31 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 13-hydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-4-carboxylate is sourced from PubChem (CID 118619357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).