(1R,2R,3S,5S,6R,7R,8S,9S,10R,11R)-11-methoxy-8-phenylpentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol

C18H20O2 — CID 124722720

IUPAC(1R,2R,3S,5S,6R,7R,8S,9S,10R,11R)-11-methoxy-8-phenylpentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol
SMILESCO[C@H]1[C@@H]2[C@@H]3[C@@H]4C[C@H]5[C@H]3[C@H]2[C@](O)(c2ccccc2)[C@@H]5[C@@H]41
InChIInChI=1S/C18H20O2/c1-20-17-13-9-7-10-12-11(9)14(17)16(12)18(19,15(10)13)8-5-3-2-4-6-8/h2-6,9-17,19H,7H2,1H3/t9-,10-,11+,12+,13+,14+,15-,16+,17+,18-/m0/s1
InChIKeySNTKXUVTTFWCCW-PLCMCOLLSA-N
MW268.36 g/mol
LogP2.28
Rot. Bonds2

About (1R,2R,3S,5S,6R,7R,8S,9S,10R,11R)-11-methoxy-8-phenylpentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol

(1R,2R,3S,5S,6R,7R,8S,9S,10R,11R)-11-methoxy-8-phenylpentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol (PubChem CID 124722720) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is (1R,2R,3S,5S,6R,7R,8S,9S,10R,11R)-11-methoxy-8-phenylpentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol.

Molecular Properties

Compound Name(1R,2R,3S,5S,6R,7R,8S,9S,10R,11R)-11-methoxy-8-phenylpentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol
PubChem CID124722720
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name(1R,2R,3S,5S,6R,7R,8S,9S,10R,11R)-11-methoxy-8-phenylpentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol
SMILESCO[C@H]1[C@@H]2[C@@H]3[C@@H]4C[C@H]5[C@H]3[C@H]2[C@](O)(c2ccccc2)[C@@H]5[C@@H]41
InChIInChI=1S/C18H20O2/c1-20-17-13-9-7-10-12-11(9)14(17)16(12)18(19,15(10)13)8-5-3-2-4-6-8/h2-6,9-17,19H,7H2,1H3/t9-,10-,11+,12+,13+,14+,15-,16+,17+,18-/m0/s1
InChIKeySNTKXUVTTFWCCW-PLCMCOLLSA-N
XLogP2.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,2R,3S,5S,6R,7R,8S,9S,10R,11R)-11-methoxy-8-phenylpentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,5S,6R,7R,8S,9S,10R,11R)-11-methoxy-8-phenylpentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol?
The IUPAC name of (1R,2R,3S,5S,6R,7R,8S,9S,10R,11R)-11-methoxy-8-phenylpentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol (CID 124722720) is (1R,2R,3S,5S,6R,7R,8S,9S,10R,11R)-11-methoxy-8-phenylpentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol.
What is the SMILES notation for (1R,2R,3S,5S,6R,7R,8S,9S,10R,11R)-11-methoxy-8-phenylpentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol?
The canonical SMILES for (1R,2R,3S,5S,6R,7R,8S,9S,10R,11R)-11-methoxy-8-phenylpentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol is CO[C@H]1[C@@H]2[C@@H]3[C@@H]4C[C@H]5[C@H]3[C@H]2[C@](O)(c2ccccc2)[C@@H]5[C@@H]41.
What is the InChIKey of (1R,2R,3S,5S,6R,7R,8S,9S,10R,11R)-11-methoxy-8-phenylpentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol?
The InChIKey is SNTKXUVTTFWCCW-PLCMCOLLSA-N. The full InChI is InChI=1S/C18H20O2/c1-20-17-13-9-7-10-12-11(9)14(17)16(12)18(19,15(10)13)8-5-3-2-4-6-8/h2-6,9-17,19H,7H2,1H3/t9-,10-,11+,12+,13+,14+,15-,16+,17+,18-/m0/s1.
What are the key properties of (1R,2R,3S,5S,6R,7R,8S,9S,10R,11R)-11-methoxy-8-phenylpentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol?
(1R,2R,3S,5S,6R,7R,8S,9S,10R,11R)-11-methoxy-8-phenylpentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol has a molecular weight of 268.36 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,5S,6R,7R,8S,9S,10R,11R)-11-methoxy-8-phenylpentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol is sourced from PubChem (CID 124722720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).