2-chloro-3-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenol

C17H24ClNO2 — CID 135093081

IUPAC2-chloro-3-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenol
SMILESCO[C@@H]1CCC[C@@]12CCCN(Cc1cccc(O)c1Cl)C2
InChIInChI=1S/C17H24ClNO2/c1-21-15-7-3-8-17(15)9-4-10-19(12-17)11-13-5-2-6-14(20)16(13)18/h2,5-6,15,20H,3-4,7-12H2,1H3/t15-,17+/m1/s1
InChIKeyRBYLHQLKEFWYTK-WBVHZDCISA-N
MW309.84 g/mol
LogP3.83
Rot. Bonds3

About 2-chloro-3-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenol

2-chloro-3-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenol (PubChem CID 135093081) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-chloro-3-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenol.

Molecular Properties

Compound Name2-chloro-3-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenol
PubChem CID135093081
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name2-chloro-3-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenol
SMILESCO[C@@H]1CCC[C@@]12CCCN(Cc1cccc(O)c1Cl)C2
InChIInChI=1S/C17H24ClNO2/c1-21-15-7-3-8-17(15)9-4-10-19(12-17)11-13-5-2-6-14(20)16(13)18/h2,5-6,15,20H,3-4,7-12H2,1H3/t15-,17+/m1/s1
InChIKeyRBYLHQLKEFWYTK-WBVHZDCISA-N
XLogP3.83
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenol?
The IUPAC name of 2-chloro-3-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenol (CID 135093081) is 2-chloro-3-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenol.
What is the SMILES notation for 2-chloro-3-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenol?
The canonical SMILES for 2-chloro-3-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenol is CO[C@@H]1CCC[C@@]12CCCN(Cc1cccc(O)c1Cl)C2.
What is the InChIKey of 2-chloro-3-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenol?
The InChIKey is RBYLHQLKEFWYTK-WBVHZDCISA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-21-15-7-3-8-17(15)9-4-10-19(12-17)11-13-5-2-6-14(20)16(13)18/h2,5-6,15,20H,3-4,7-12H2,1H3/t15-,17+/m1/s1.
What are the key properties of 2-chloro-3-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenol?
2-chloro-3-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenol has a molecular weight of 309.84 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenol is sourced from PubChem (CID 135093081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).