(1S,2R,10S,17S)-pentacyclo[8.7.0.02,17.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-10-ol

C17H14O — CID 98554614

IUPAC(1S,2R,10S,17S)-pentacyclo[8.7.0.02,17.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-10-ol
SMILESO[C@]12Cc3ccccc3[C@@H]3[C@H](c4ccccc41)[C@H]32
InChIInChI=1S/C17H14O/c18-17-9-10-5-1-2-6-11(10)14-15(16(14)17)12-7-3-4-8-13(12)17/h1-8,14-16,18H,9H2/t14-,15+,16+,17-/m1/s1
InChIKeyCWPZWBPNJQBXLL-LTIDMASMSA-N
MW234.30 g/mol
LogP2.94
Rot. Bonds

About (1S,2R,10S,17S)-pentacyclo[8.7.0.02,17.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-10-ol

(1S,2R,10S,17S)-pentacyclo[8.7.0.02,17.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-10-ol (PubChem CID 98554614) has the molecular formula C17H14O and a molecular weight of 234.30 g/mol. Its IUPAC name is (1S,2R,10S,17S)-pentacyclo[8.7.0.02,17.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-10-ol.

Molecular Properties

Compound Name(1S,2R,10S,17S)-pentacyclo[8.7.0.02,17.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-10-ol
PubChem CID98554614
Molecular FormulaC17H14O
Molecular Weight234.30 g/mol
Exact Mass234.10
IUPAC Name(1S,2R,10S,17S)-pentacyclo[8.7.0.02,17.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-10-ol
SMILESO[C@]12Cc3ccccc3[C@@H]3[C@H](c4ccccc41)[C@H]32
InChIInChI=1S/C17H14O/c18-17-9-10-5-1-2-6-11(10)14-15(16(14)17)12-7-3-4-8-13(12)17/h1-8,14-16,18H,9H2/t14-,15+,16+,17-/m1/s1
InChIKeyCWPZWBPNJQBXLL-LTIDMASMSA-N
XLogP2.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S,2R,10S,17S)-pentacyclo[8.7.0.02,17.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-10-ol with MolForge

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Related Compounds

pentacyclo[8.7.0.02,17.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-10-ol
CID 90482140
(1R,2R)-1-methyl-2-phenyl-1,3-dihydroinden-2-ol
CID 14449205
(1S,2S)-1-(methylamino)-2-phenyl-1,3-dihydroinden-2-ol
CID 138485256
(1R,2R)-1-(methylamino)-2-phenyl-1,3-dihydroinden-2-ol
CID 138485254
(2'R,10'S,11'S)-spiro[fluorene-9,9'-pentacyclo[9.7.0.02,10.03,8.012,17]octadeca-3,5,7,12,14,16-hexaene]
CID 159928803
(2R,16S)-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaene-9-carboxamide
CID 98156633
1-bromo-2-methyl-1,3-dihydroinden-2-ol
CID 174888924
(1S,8R)-tricyclo[6.5.0.02,7]trideca-2,4,6-trien-1-ol
CID 7055569
spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-ol
CID 13300016
pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaene-9-carbaldehyde
CID 90482137
9-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaenylmethanamine
CID 90482134
(2S,16S)-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaene-9-carbaldehyde
CID 98163241

Frequently Asked Questions

What is the IUPAC name of (1S,2R,10S,17S)-pentacyclo[8.7.0.02,17.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-10-ol?
The IUPAC name of (1S,2R,10S,17S)-pentacyclo[8.7.0.02,17.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-10-ol (CID 98554614) is (1S,2R,10S,17S)-pentacyclo[8.7.0.02,17.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-10-ol.
What is the SMILES notation for (1S,2R,10S,17S)-pentacyclo[8.7.0.02,17.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-10-ol?
The canonical SMILES for (1S,2R,10S,17S)-pentacyclo[8.7.0.02,17.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-10-ol is O[C@]12Cc3ccccc3[C@@H]3[C@H](c4ccccc41)[C@H]32.
What is the InChIKey of (1S,2R,10S,17S)-pentacyclo[8.7.0.02,17.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-10-ol?
The InChIKey is CWPZWBPNJQBXLL-LTIDMASMSA-N. The full InChI is InChI=1S/C17H14O/c18-17-9-10-5-1-2-6-11(10)14-15(16(14)17)12-7-3-4-8-13(12)17/h1-8,14-16,18H,9H2/t14-,15+,16+,17-/m1/s1.
What are the key properties of (1S,2R,10S,17S)-pentacyclo[8.7.0.02,17.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-10-ol?
(1S,2R,10S,17S)-pentacyclo[8.7.0.02,17.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-10-ol has a molecular weight of 234.30 g/mol, XLogP of 2.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,10S,17S)-pentacyclo[8.7.0.02,17.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-10-ol is sourced from PubChem (CID 98554614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).