[(13S)-11-methoxy-7-methyl-13-propyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),10-tetraen-2-yl]methanol

C20H26O3 — CID 70902342

IUPAC[(13S)-11-methoxy-7-methyl-13-propyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),10-tetraen-2-yl]methanol
SMILESCCC[C@]12c3c4ccc(CO)c3OC1C(OC)=CCC2C(C)C4
InChIInChI=1S/C20H26O3/c1-4-9-20-15-7-8-16(22-3)19(20)23-18-14(11-21)6-5-13(17(18)20)10-12(15)2/h5-6,8,12,15,19,21H,4,7,9-11H2,1-3H3/t12?,15?,19?,20-/m0/s1
InChIKeyOTELBJMXKCBKRA-ZXXSZQELSA-N
MW314.43 g/mol
LogP3.72
Rot. Bonds4

About [(13S)-11-methoxy-7-methyl-13-propyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),10-tetraen-2-yl]methanol

[(13S)-11-methoxy-7-methyl-13-propyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),10-tetraen-2-yl]methanol (PubChem CID 70902342) has the molecular formula C20H26O3 and a molecular weight of 314.43 g/mol. Its IUPAC name is [(13S)-11-methoxy-7-methyl-13-propyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),10-tetraen-2-yl]methanol.

Molecular Properties

Compound Name[(13S)-11-methoxy-7-methyl-13-propyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),10-tetraen-2-yl]methanol
PubChem CID70902342
Molecular FormulaC20H26O3
Molecular Weight314.43 g/mol
Exact Mass314.19
IUPAC Name[(13S)-11-methoxy-7-methyl-13-propyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),10-tetraen-2-yl]methanol
SMILESCCC[C@]12c3c4ccc(CO)c3OC1C(OC)=CCC2C(C)C4
InChIInChI=1S/C20H26O3/c1-4-9-20-15-7-8-16(22-3)19(20)23-18-14(11-21)6-5-13(17(18)20)10-12(15)2/h5-6,8,12,15,19,21H,4,7,9-11H2,1-3H3/t12?,15?,19?,20-/m0/s1
InChIKeyOTELBJMXKCBKRA-ZXXSZQELSA-N
XLogP3.72
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(13S)-11-methoxy-7-methyl-13-propyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),10-tetraen-2-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(13S)-11-methoxy-7-methyl-13-propyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),10-tetraen-2-yl]methanol?
The IUPAC name of [(13S)-11-methoxy-7-methyl-13-propyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),10-tetraen-2-yl]methanol (CID 70902342) is [(13S)-11-methoxy-7-methyl-13-propyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),10-tetraen-2-yl]methanol.
What is the SMILES notation for [(13S)-11-methoxy-7-methyl-13-propyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),10-tetraen-2-yl]methanol?
The canonical SMILES for [(13S)-11-methoxy-7-methyl-13-propyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),10-tetraen-2-yl]methanol is CCC[C@]12c3c4ccc(CO)c3OC1C(OC)=CCC2C(C)C4.
What is the InChIKey of [(13S)-11-methoxy-7-methyl-13-propyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),10-tetraen-2-yl]methanol?
The InChIKey is OTELBJMXKCBKRA-ZXXSZQELSA-N. The full InChI is InChI=1S/C20H26O3/c1-4-9-20-15-7-8-16(22-3)19(20)23-18-14(11-21)6-5-13(17(18)20)10-12(15)2/h5-6,8,12,15,19,21H,4,7,9-11H2,1-3H3/t12?,15?,19?,20-/m0/s1.
What are the key properties of [(13S)-11-methoxy-7-methyl-13-propyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),10-tetraen-2-yl]methanol?
[(13S)-11-methoxy-7-methyl-13-propyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),10-tetraen-2-yl]methanol has a molecular weight of 314.43 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(13S)-11-methoxy-7-methyl-13-propyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),10-tetraen-2-yl]methanol is sourced from PubChem (CID 70902342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).