(1S,2S,5R,6R)-1-phenylmethoxy-9,10-dioxatricyclo[4.2.1.12,5]decane

C15H18O3 — CID 11413921

IUPAC(1S,2S,5R,6R)-1-phenylmethoxy-9,10-dioxatricyclo[4.2.1.12,5]decane
SMILESc1ccc(CO[C@@]23CC[C@@H](O2)[C@H]2CC[C@@H]3O2)cc1
InChIInChI=1S/C15H18O3/c1-2-4-11(5-3-1)10-16-15-9-8-13(18-15)12-6-7-14(15)17-12/h1-5,12-14H,6-10H2/t12-,13-,14+,15+/m1/s1
InChIKeyJMQXLLUNXPLIBB-KBXIAJHMSA-N
MW246.31 g/mol
LogP2.64
Rot. Bonds3

About (1S,2S,5R,6R)-1-phenylmethoxy-9,10-dioxatricyclo[4.2.1.12,5]decane

(1S,2S,5R,6R)-1-phenylmethoxy-9,10-dioxatricyclo[4.2.1.12,5]decane (PubChem CID 11413921) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is (1S,2S,5R,6R)-1-phenylmethoxy-9,10-dioxatricyclo[4.2.1.12,5]decane.

Molecular Properties

Compound Name(1S,2S,5R,6R)-1-phenylmethoxy-9,10-dioxatricyclo[4.2.1.12,5]decane
PubChem CID11413921
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name(1S,2S,5R,6R)-1-phenylmethoxy-9,10-dioxatricyclo[4.2.1.12,5]decane
SMILESc1ccc(CO[C@@]23CC[C@@H](O2)[C@H]2CC[C@@H]3O2)cc1
InChIInChI=1S/C15H18O3/c1-2-4-11(5-3-1)10-16-15-9-8-13(18-15)12-6-7-14(15)17-12/h1-5,12-14H,6-10H2/t12-,13-,14+,15+/m1/s1
InChIKeyJMQXLLUNXPLIBB-KBXIAJHMSA-N
XLogP2.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1S,2S,5R,6R)-1-phenylmethoxy-9,10-dioxatricyclo[4.2.1.12,5]decane with MolForge

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Related Compounds

1-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 18924232
(1R,2S,5S,6S,7S)-7-chloro-2-methyl-2-phenylmethoxy-6-phenylsulfanyl-8-oxabicyclo[3.2.1]octane
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(1S,2S,4R,5R)-2,4-bis(phenylmethoxy)-8-oxabicyclo[3.2.1]octane
CID 71725331
(1R,2S,5S,6R,7R)-6-chloro-2-methyl-2-phenylmethoxy-7-phenylsulfanyl-8-oxabicyclo[3.2.1]octane
CID 10022317
1-phenylmethoxy-2,6-dioxabicyclo[3.2.1]octane
CID 54302895
(1R,6R,8S)-4-methoxy-8-phenylmethoxy-5,11,12-trioxatricyclo[7.2.1.01,6]dodecane
CID 154479665
5-methoxy-2-phenylmethoxyoxolane-2-carbaldehyde
CID 172728928
(1R,5S)-4,4-dimethyl-1-(3-phenylmethoxypropyl)-2,3,8-trioxabicyclo[3.2.1]octane
CID 102280446
[(1S)-1-cyclopropylethoxy]methylbenzene
CID 144674545
(1R,2S,4S,5S,6S)-6-chloro-2-methyl-2-phenylmethoxy-5-phenylsulfanyl-7-oxabicyclo[2.2.1]heptane
CID 10021462
3,3,6-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 141437392
benzyl 2-[(1S,4R,5S)-1-methyl-2,3,8-trioxabicyclo[3.2.1]octan-4-yl]acetate
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Frequently Asked Questions

What is the IUPAC name of (1S,2S,5R,6R)-1-phenylmethoxy-9,10-dioxatricyclo[4.2.1.12,5]decane?
The IUPAC name of (1S,2S,5R,6R)-1-phenylmethoxy-9,10-dioxatricyclo[4.2.1.12,5]decane (CID 11413921) is (1S,2S,5R,6R)-1-phenylmethoxy-9,10-dioxatricyclo[4.2.1.12,5]decane.
What is the SMILES notation for (1S,2S,5R,6R)-1-phenylmethoxy-9,10-dioxatricyclo[4.2.1.12,5]decane?
The canonical SMILES for (1S,2S,5R,6R)-1-phenylmethoxy-9,10-dioxatricyclo[4.2.1.12,5]decane is c1ccc(CO[C@@]23CC[C@@H](O2)[C@H]2CC[C@@H]3O2)cc1.
What is the InChIKey of (1S,2S,5R,6R)-1-phenylmethoxy-9,10-dioxatricyclo[4.2.1.12,5]decane?
The InChIKey is JMQXLLUNXPLIBB-KBXIAJHMSA-N. The full InChI is InChI=1S/C15H18O3/c1-2-4-11(5-3-1)10-16-15-9-8-13(18-15)12-6-7-14(15)17-12/h1-5,12-14H,6-10H2/t12-,13-,14+,15+/m1/s1.
What are the key properties of (1S,2S,5R,6R)-1-phenylmethoxy-9,10-dioxatricyclo[4.2.1.12,5]decane?
(1S,2S,5R,6R)-1-phenylmethoxy-9,10-dioxatricyclo[4.2.1.12,5]decane has a molecular weight of 246.31 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5R,6R)-1-phenylmethoxy-9,10-dioxatricyclo[4.2.1.12,5]decane is sourced from PubChem (CID 11413921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).