[(1S,2S,9R,10R,11S,13R)-12-pentacyclo[8.3.1.02,9.03,8.011,13]tetradeca-3,5,7-trienyl]methanol

C15H16O — CID 15625267

IUPAC[(1S,2S,9R,10R,11S,13R)-12-pentacyclo[8.3.1.02,9.03,8.011,13]tetradeca-3,5,7-trienyl]methanol
SMILESOCC1[C@@H]2[C@@H]3C[C@@H]([C@H]4c5ccccc5[C@@H]34)[C@H]12
InChIInChI=1S/C15H16O/c16-6-11-14-9-5-10(15(11)14)13-8-4-2-1-3-7(8)12(9)13/h1-4,9-16H,5-6H2/t9-,10+,11?,12+,13-,14+,15-
InChIKeyLIUTUNIPVPSHCA-WTGIQTJSSA-N
MW212.29 g/mol
LogP2.37
Rot. Bonds1

About [(1S,2S,9R,10R,11S,13R)-12-pentacyclo[8.3.1.02,9.03,8.011,13]tetradeca-3,5,7-trienyl]methanol

[(1S,2S,9R,10R,11S,13R)-12-pentacyclo[8.3.1.02,9.03,8.011,13]tetradeca-3,5,7-trienyl]methanol (PubChem CID 15625267) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is [(1S,2S,9R,10R,11S,13R)-12-pentacyclo[8.3.1.02,9.03,8.011,13]tetradeca-3,5,7-trienyl]methanol.

Molecular Properties

Compound Name[(1S,2S,9R,10R,11S,13R)-12-pentacyclo[8.3.1.02,9.03,8.011,13]tetradeca-3,5,7-trienyl]methanol
PubChem CID15625267
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name[(1S,2S,9R,10R,11S,13R)-12-pentacyclo[8.3.1.02,9.03,8.011,13]tetradeca-3,5,7-trienyl]methanol
SMILESOCC1[C@@H]2[C@@H]3C[C@@H]([C@H]4c5ccccc5[C@@H]34)[C@H]12
InChIInChI=1S/C15H16O/c16-6-11-14-9-5-10(15(11)14)13-8-4-2-1-3-7(8)12(9)13/h1-4,9-16H,5-6H2/t9-,10+,11?,12+,13-,14+,15-
InChIKeyLIUTUNIPVPSHCA-WTGIQTJSSA-N
XLogP2.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cycloheptane_2', 'substructure': 'N/A'}, {'alert_name': 'cyclooctane_2', 'substructure': 'N/A'}

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Related Compounds

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CID 22216876
(1S,2S,9R,10R,11R,12R)-11,12-diiodotetracyclo[8.2.1.02,9.03,8]trideca-3,5,7-triene
CID 11201002
heptacyclo[16.6.0.02,9.03,8.010,17.011,16.019,24]tetracosa-3,5,7,11,13,15,19,21,23-nonaene
CID 101073246
(1S,2R,4S,5R,6S,7S,14R,15R,16S,17R,19S,20R,21S,22R,29S,30R)-32,34-dioxaundecacyclo[18.10.1.15,16.17,14.122,29.02,19.04,17.06,15.08,13.021,30.023,28]tetratriaconta-8,10,12,23,25,27-hexaene-3,18-dione
CID 101337078
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CID 101337076
[4-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol
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[2-(2-aminophenyl)cyclopropyl]methanol
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(3S,4S,7S,8S)-hexacyclo[8.4.0.02,7.03,5.04,9.06,8]tetradeca-1(14),10,12-triene
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[(1S,2S,3R)-2-(2-chlorophenyl)-3-iodocyclopropyl]methanol
CID 44597249
[2-fluoro-3-(2-methylphenyl)cyclopropyl]methanol
CID 130145185
(1S,2S,3S,10S)-hexacyclo[8.8.0.02,18.03,11.04,9.012,17]octadeca-4,6,8,12,14,16-hexaene
CID 98514313
(1S,2R,9S,10R)-tetracyclo[8.2.1.02,9.03,8]trideca-3,5,7,11-tetraene
CID 11095035

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,9R,10R,11S,13R)-12-pentacyclo[8.3.1.02,9.03,8.011,13]tetradeca-3,5,7-trienyl]methanol?
The IUPAC name of [(1S,2S,9R,10R,11S,13R)-12-pentacyclo[8.3.1.02,9.03,8.011,13]tetradeca-3,5,7-trienyl]methanol (CID 15625267) is [(1S,2S,9R,10R,11S,13R)-12-pentacyclo[8.3.1.02,9.03,8.011,13]tetradeca-3,5,7-trienyl]methanol.
What is the SMILES notation for [(1S,2S,9R,10R,11S,13R)-12-pentacyclo[8.3.1.02,9.03,8.011,13]tetradeca-3,5,7-trienyl]methanol?
The canonical SMILES for [(1S,2S,9R,10R,11S,13R)-12-pentacyclo[8.3.1.02,9.03,8.011,13]tetradeca-3,5,7-trienyl]methanol is OCC1[C@@H]2[C@@H]3C[C@@H]([C@H]4c5ccccc5[C@@H]34)[C@H]12.
What is the InChIKey of [(1S,2S,9R,10R,11S,13R)-12-pentacyclo[8.3.1.02,9.03,8.011,13]tetradeca-3,5,7-trienyl]methanol?
The InChIKey is LIUTUNIPVPSHCA-WTGIQTJSSA-N. The full InChI is InChI=1S/C15H16O/c16-6-11-14-9-5-10(15(11)14)13-8-4-2-1-3-7(8)12(9)13/h1-4,9-16H,5-6H2/t9-,10+,11?,12+,13-,14+,15-.
What are the key properties of [(1S,2S,9R,10R,11S,13R)-12-pentacyclo[8.3.1.02,9.03,8.011,13]tetradeca-3,5,7-trienyl]methanol?
[(1S,2S,9R,10R,11S,13R)-12-pentacyclo[8.3.1.02,9.03,8.011,13]tetradeca-3,5,7-trienyl]methanol has a molecular weight of 212.29 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,9R,10R,11S,13R)-12-pentacyclo[8.3.1.02,9.03,8.011,13]tetradeca-3,5,7-trienyl]methanol is sourced from PubChem (CID 15625267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).