4-chloro-2-[(R)-[(2R)-5,5-dimethyloxolan-2-yl]-(1-methylindol-3-yl)methyl]phenol

C22H24ClNO2 — CID 46848256

IUPAC4-chloro-2-[(R)-[(2R)-5,5-dimethyloxolan-2-yl]-(1-methylindol-3-yl)methyl]phenol
SMILESCn1cc([C@H](c2cc(Cl)ccc2O)[C@H]2CCC(C)(C)O2)c2ccccc21
InChIInChI=1S/C22H24ClNO2/c1-22(2)11-10-20(26-22)21(16-12-14(23)8-9-19(16)25)17-13-24(3)18-7-5-4-6-15(17)18/h4-9,12-13,20-21,25H,10-11H2,1-3H3/t20-,21+/m1/s1
InChIKeyBGYCFCCEDUJMFR-RTWAWAEBSA-N
MW369.89 g/mol
LogP5.63
Rot. Bonds3

About 4-chloro-2-[(R)-[(2R)-5,5-dimethyloxolan-2-yl]-(1-methylindol-3-yl)methyl]phenol

4-chloro-2-[(R)-[(2R)-5,5-dimethyloxolan-2-yl]-(1-methylindol-3-yl)methyl]phenol (PubChem CID 46848256) has the molecular formula C22H24ClNO2 and a molecular weight of 369.89 g/mol. Its IUPAC name is 4-chloro-2-[(R)-[(2R)-5,5-dimethyloxolan-2-yl]-(1-methylindol-3-yl)methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[(R)-[(2R)-5,5-dimethyloxolan-2-yl]-(1-methylindol-3-yl)methyl]phenol
PubChem CID46848256
Molecular FormulaC22H24ClNO2
Molecular Weight369.89 g/mol
Exact Mass369.15
IUPAC Name4-chloro-2-[(R)-[(2R)-5,5-dimethyloxolan-2-yl]-(1-methylindol-3-yl)methyl]phenol
SMILESCn1cc([C@H](c2cc(Cl)ccc2O)[C@H]2CCC(C)(C)O2)c2ccccc21
InChIInChI=1S/C22H24ClNO2/c1-22(2)11-10-20(26-22)21(16-12-14(23)8-9-19(16)25)17-13-24(3)18-7-5-4-6-15(17)18/h4-9,12-13,20-21,25H,10-11H2,1-3H3/t20-,21+/m1/s1
InChIKeyBGYCFCCEDUJMFR-RTWAWAEBSA-N
XLogP5.63
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.89
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(R)-[(2R)-5,5-dimethyloxolan-2-yl]-(1-methylindol-3-yl)methyl]phenol?
The IUPAC name of 4-chloro-2-[(R)-[(2R)-5,5-dimethyloxolan-2-yl]-(1-methylindol-3-yl)methyl]phenol (CID 46848256) is 4-chloro-2-[(R)-[(2R)-5,5-dimethyloxolan-2-yl]-(1-methylindol-3-yl)methyl]phenol.
What is the SMILES notation for 4-chloro-2-[(R)-[(2R)-5,5-dimethyloxolan-2-yl]-(1-methylindol-3-yl)methyl]phenol?
The canonical SMILES for 4-chloro-2-[(R)-[(2R)-5,5-dimethyloxolan-2-yl]-(1-methylindol-3-yl)methyl]phenol is Cn1cc([C@H](c2cc(Cl)ccc2O)[C@H]2CCC(C)(C)O2)c2ccccc21.
What is the InChIKey of 4-chloro-2-[(R)-[(2R)-5,5-dimethyloxolan-2-yl]-(1-methylindol-3-yl)methyl]phenol?
The InChIKey is BGYCFCCEDUJMFR-RTWAWAEBSA-N. The full InChI is InChI=1S/C22H24ClNO2/c1-22(2)11-10-20(26-22)21(16-12-14(23)8-9-19(16)25)17-13-24(3)18-7-5-4-6-15(17)18/h4-9,12-13,20-21,25H,10-11H2,1-3H3/t20-,21+/m1/s1.
What are the key properties of 4-chloro-2-[(R)-[(2R)-5,5-dimethyloxolan-2-yl]-(1-methylindol-3-yl)methyl]phenol?
4-chloro-2-[(R)-[(2R)-5,5-dimethyloxolan-2-yl]-(1-methylindol-3-yl)methyl]phenol has a molecular weight of 369.89 g/mol, XLogP of 5.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(R)-[(2R)-5,5-dimethyloxolan-2-yl]-(1-methylindol-3-yl)methyl]phenol is sourced from PubChem (CID 46848256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).