(15S,18R)-16-oxapentacyclo[6.6.4.02,7.09,14.015,18]octadeca-2,4,6,9,11,13-hexaen-1-ol

C17H14O2 — CID 101171617

IUPAC(15S,18R)-16-oxapentacyclo[6.6.4.02,7.09,14.015,18]octadeca-2,4,6,9,11,13-hexaen-1-ol
SMILESOC12c3ccccc3C(c3ccccc31)[C@@H]1CO[C@@H]12
InChIInChI=1S/C17H14O2/c18-17-13-7-3-1-5-10(13)15(12-9-19-16(12)17)11-6-2-4-8-14(11)17/h1-8,12,15-16,18H,9H2/t12-,15?,16-,17?/m0/s1
InChIKeyQJXCOKXPVQPPSU-FDTVDDQNSA-N
MW250.30 g/mol
LogP2.40
Rot. Bonds

About (15S,18R)-16-oxapentacyclo[6.6.4.02,7.09,14.015,18]octadeca-2,4,6,9,11,13-hexaen-1-ol

(15S,18R)-16-oxapentacyclo[6.6.4.02,7.09,14.015,18]octadeca-2,4,6,9,11,13-hexaen-1-ol (PubChem CID 101171617) has the molecular formula C17H14O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is (15S,18R)-16-oxapentacyclo[6.6.4.02,7.09,14.015,18]octadeca-2,4,6,9,11,13-hexaen-1-ol.

Molecular Properties

Compound Name(15S,18R)-16-oxapentacyclo[6.6.4.02,7.09,14.015,18]octadeca-2,4,6,9,11,13-hexaen-1-ol
PubChem CID101171617
Molecular FormulaC17H14O2
Molecular Weight250.30 g/mol
Exact Mass250.10
IUPAC Name(15S,18R)-16-oxapentacyclo[6.6.4.02,7.09,14.015,18]octadeca-2,4,6,9,11,13-hexaen-1-ol
SMILESOC12c3ccccc3C(c3ccccc31)[C@@H]1CO[C@@H]12
InChIInChI=1S/C17H14O2/c18-17-13-7-3-1-5-10(13)15(12-9-19-16(12)17)11-6-2-4-8-14(11)17/h1-8,12,15-16,18H,9H2/t12-,15?,16-,17?/m0/s1
InChIKeyQJXCOKXPVQPPSU-FDTVDDQNSA-N
XLogP2.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(15S,18S)-16-oxapentacyclo[6.6.4.02,7.09,14.015,18]octadeca-2,4,6,9,11,13-hexaen-8-ol
CID 101171618
(15R,16R)-15-(hydroxymethyl)-16-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-1-ol
CID 101177767
(3aR,4S,9S,9aR)-4-hydroxy-9-methoxy-4-phenyl-1,3a,9,9a-tetrahydrobenzo[f][2]benzofuran-3-one
CID 15326393
3-amino-2,3-dihydroindene-1,1-diol
CID 70048051
(15S,18R)-pentacyclo[6.6.4.02,7.09,14.015,18]octadeca-2,4,6,9,11,13-hexaene
CID 95564439
(2S,21S)-4,7,10,13,16,19-hexaoxapentacyclo[20.6.6.02,21.023,28.029,34]tetratriaconta-23,25,27,29,31,33-hexaene
CID 14225605
(1R,1aR,6R,6aS)-6-(2-methylphenyl)-1-trimethylsilyl-1a,6a-dihydro-1H-cyclopropa[a]inden-6-ol
CID 134998218
2,4-dithiaoctacyclo[11.6.6.65,12.01,5.06,11.014,19.020,25.026,31]hentriaconta-6,8,10,14,16,18,20,22,24,26,28,30-dodecaene
CID 101168678
(1aR,2R,7bR)-2,3,3-trimethyl-1a,7b-dihydronaphtho[1,2-b]oxiren-2-ol
CID 101130359
(1R,1aR,6R,6aS)-6-(4-chlorophenyl)-1-trimethylsilyl-1a,6a-dihydro-1H-cyclopropa[a]inden-6-ol
CID 134997411
pentacyclo[8.7.0.02,17.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-10-ol
CID 90482140
(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

Frequently Asked Questions

What is the IUPAC name of (15S,18R)-16-oxapentacyclo[6.6.4.02,7.09,14.015,18]octadeca-2,4,6,9,11,13-hexaen-1-ol?
The IUPAC name of (15S,18R)-16-oxapentacyclo[6.6.4.02,7.09,14.015,18]octadeca-2,4,6,9,11,13-hexaen-1-ol (CID 101171617) is (15S,18R)-16-oxapentacyclo[6.6.4.02,7.09,14.015,18]octadeca-2,4,6,9,11,13-hexaen-1-ol.
What is the SMILES notation for (15S,18R)-16-oxapentacyclo[6.6.4.02,7.09,14.015,18]octadeca-2,4,6,9,11,13-hexaen-1-ol?
The canonical SMILES for (15S,18R)-16-oxapentacyclo[6.6.4.02,7.09,14.015,18]octadeca-2,4,6,9,11,13-hexaen-1-ol is OC12c3ccccc3C(c3ccccc31)[C@@H]1CO[C@@H]12.
What is the InChIKey of (15S,18R)-16-oxapentacyclo[6.6.4.02,7.09,14.015,18]octadeca-2,4,6,9,11,13-hexaen-1-ol?
The InChIKey is QJXCOKXPVQPPSU-FDTVDDQNSA-N. The full InChI is InChI=1S/C17H14O2/c18-17-13-7-3-1-5-10(13)15(12-9-19-16(12)17)11-6-2-4-8-14(11)17/h1-8,12,15-16,18H,9H2/t12-,15?,16-,17?/m0/s1.
What are the key properties of (15S,18R)-16-oxapentacyclo[6.6.4.02,7.09,14.015,18]octadeca-2,4,6,9,11,13-hexaen-1-ol?
(15S,18R)-16-oxapentacyclo[6.6.4.02,7.09,14.015,18]octadeca-2,4,6,9,11,13-hexaen-1-ol has a molecular weight of 250.30 g/mol, XLogP of 2.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (15S,18R)-16-oxapentacyclo[6.6.4.02,7.09,14.015,18]octadeca-2,4,6,9,11,13-hexaen-1-ol is sourced from PubChem (CID 101171617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).