(2R,4S,5S,6R,7S,10R)-6-(phenylmethoxymethyl)-9-oxatetracyclo[5.3.0.01,5.02,4]decan-10-ol

C17H20O3 — CID 101386923

IUPAC(2R,4S,5S,6R,7S,10R)-6-(phenylmethoxymethyl)-9-oxatetracyclo[5.3.0.01,5.02,4]decan-10-ol
SMILESO[C@@H]1OC[C@H]2[C@H](COCc3ccccc3)[C@@H]3[C@H]4CC4C312
InChIInChI=1S/C17H20O3/c18-16-17-13-6-11(13)15(17)12(14(17)9-20-16)8-19-7-10-4-2-1-3-5-10/h1-5,11-16,18H,6-9H2/t11-,12-,13?,14-,15-,16+,17?/m0/s1
InChIKeyQOKWSBNAKRPRHH-CIQSQARJSA-N
MW272.34 g/mol
LogP2.05
Rot. Bonds4

About (2R,4S,5S,6R,7S,10R)-6-(phenylmethoxymethyl)-9-oxatetracyclo[5.3.0.01,5.02,4]decan-10-ol

(2R,4S,5S,6R,7S,10R)-6-(phenylmethoxymethyl)-9-oxatetracyclo[5.3.0.01,5.02,4]decan-10-ol (PubChem CID 101386923) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is (2R,4S,5S,6R,7S,10R)-6-(phenylmethoxymethyl)-9-oxatetracyclo[5.3.0.01,5.02,4]decan-10-ol.

Molecular Properties

Compound Name(2R,4S,5S,6R,7S,10R)-6-(phenylmethoxymethyl)-9-oxatetracyclo[5.3.0.01,5.02,4]decan-10-ol
PubChem CID101386923
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name(2R,4S,5S,6R,7S,10R)-6-(phenylmethoxymethyl)-9-oxatetracyclo[5.3.0.01,5.02,4]decan-10-ol
SMILESO[C@@H]1OC[C@H]2[C@H](COCc3ccccc3)[C@@H]3[C@H]4CC4C312
InChIInChI=1S/C17H20O3/c18-16-17-13-6-11(13)15(17)12(14(17)9-20-16)8-19-7-10-4-2-1-3-5-10/h1-5,11-16,18H,6-9H2/t11-,12-,13?,14-,15-,16+,17?/m0/s1
InChIKeyQOKWSBNAKRPRHH-CIQSQARJSA-N
XLogP2.05
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R,4S,5S,6R,7S,10R)-6-(phenylmethoxymethyl)-9-oxatetracyclo[5.3.0.01,5.02,4]decan-10-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,2S,3S,4R)-2,3-bis(phenylmethoxymethyl)bicyclo[2.1.0]pentane
CID 166976209
4-(phenylmethoxymethyl)cyclopentane-1,2-diol
CID 12717277
(2R,3R,5S)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol
CID 10977493
(3R,4S,5S)-5-(1-hydroxy-2-phenylethyl)-4-(phenylmethoxymethyl)oxolan-3-ol
CID 57302482
(4R,4aS,6S,7S,7aS)-6-hydroxy-4-methyl-7-(phenylmethoxymethyl)-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-3-one
CID 11254785
4-fluoro-2-(phenylmethoxymethyl)oxolane-3,4-diol
CID 142669372
(3aR,6aS)-5-hydroxy-4-(phenylmethoxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one
CID 22828466
(4R,5R)-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-ol
CID 159970118
(2R,4R,5R)-5-ethyl-2-(phenylmethoxymethyl)oxan-4-ol
CID 24764148
(1S,2R,3S,4R)-2,3-bis(phenylmethoxymethyl)-5-oxabicyclo[2.1.0]pentane
CID 11056009
(2S)-5-azido-2-(phenylmethoxymethyl)oxan-4-ol
CID 46862805
2-fluoro-3-(phenylmethoxymethyl)cyclobutan-1-ol
CID 57425831

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5S,6R,7S,10R)-6-(phenylmethoxymethyl)-9-oxatetracyclo[5.3.0.01,5.02,4]decan-10-ol?
The IUPAC name of (2R,4S,5S,6R,7S,10R)-6-(phenylmethoxymethyl)-9-oxatetracyclo[5.3.0.01,5.02,4]decan-10-ol (CID 101386923) is (2R,4S,5S,6R,7S,10R)-6-(phenylmethoxymethyl)-9-oxatetracyclo[5.3.0.01,5.02,4]decan-10-ol.
What is the SMILES notation for (2R,4S,5S,6R,7S,10R)-6-(phenylmethoxymethyl)-9-oxatetracyclo[5.3.0.01,5.02,4]decan-10-ol?
The canonical SMILES for (2R,4S,5S,6R,7S,10R)-6-(phenylmethoxymethyl)-9-oxatetracyclo[5.3.0.01,5.02,4]decan-10-ol is O[C@@H]1OC[C@H]2[C@H](COCc3ccccc3)[C@@H]3[C@H]4CC4C312.
What is the InChIKey of (2R,4S,5S,6R,7S,10R)-6-(phenylmethoxymethyl)-9-oxatetracyclo[5.3.0.01,5.02,4]decan-10-ol?
The InChIKey is QOKWSBNAKRPRHH-CIQSQARJSA-N. The full InChI is InChI=1S/C17H20O3/c18-16-17-13-6-11(13)15(17)12(14(17)9-20-16)8-19-7-10-4-2-1-3-5-10/h1-5,11-16,18H,6-9H2/t11-,12-,13?,14-,15-,16+,17?/m0/s1.
What are the key properties of (2R,4S,5S,6R,7S,10R)-6-(phenylmethoxymethyl)-9-oxatetracyclo[5.3.0.01,5.02,4]decan-10-ol?
(2R,4S,5S,6R,7S,10R)-6-(phenylmethoxymethyl)-9-oxatetracyclo[5.3.0.01,5.02,4]decan-10-ol has a molecular weight of 272.34 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5S,6R,7S,10R)-6-(phenylmethoxymethyl)-9-oxatetracyclo[5.3.0.01,5.02,4]decan-10-ol is sourced from PubChem (CID 101386923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).