(R)-(3-chlorophenyl)-[(1S,3S)-3-propylcyclohexyl]methanol;hydrochloride

C16H24Cl2O — CID 158363901

IUPAC(R)-(3-chlorophenyl)-[(1S,3S)-3-propylcyclohexyl]methanol;hydrochloride
SMILESCCC[C@H]1CCC[C@H]([C@@H](O)c2cccc(Cl)c2)C1.Cl
InChIInChI=1S/C16H23ClO.ClH/c1-2-5-12-6-3-7-13(10-12)16(18)14-8-4-9-15(17)11-14;/h4,8-9,11-13,16,18H,2-3,5-7,10H2,1H3;1H/t12-,13-,16+;/m0./s1
InChIKeyGMBBBDXLFMKVCZ-UBNPUMAJSA-N
MW303.27 g/mol
LogP5.40
Rot. Bonds4

About (R)-(3-chlorophenyl)-[(1S,3S)-3-propylcyclohexyl]methanol;hydrochloride

(R)-(3-chlorophenyl)-[(1S,3S)-3-propylcyclohexyl]methanol;hydrochloride (PubChem CID 158363901) has the molecular formula C16H24Cl2O and a molecular weight of 303.27 g/mol. Its IUPAC name is (R)-(3-chlorophenyl)-[(1S,3S)-3-propylcyclohexyl]methanol;hydrochloride.

Molecular Properties

Compound Name(R)-(3-chlorophenyl)-[(1S,3S)-3-propylcyclohexyl]methanol;hydrochloride
PubChem CID158363901
Molecular FormulaC16H24Cl2O
Molecular Weight303.27 g/mol
Exact Mass302.12
IUPAC Name(R)-(3-chlorophenyl)-[(1S,3S)-3-propylcyclohexyl]methanol;hydrochloride
SMILESCCC[C@H]1CCC[C@H]([C@@H](O)c2cccc(Cl)c2)C1.Cl
InChIInChI=1S/C16H23ClO.ClH/c1-2-5-12-6-3-7-13(10-12)16(18)14-8-4-9-15(17)11-14;/h4,8-9,11-13,16,18H,2-3,5-7,10H2,1H3;1H/t12-,13-,16+;/m0./s1
InChIKeyGMBBBDXLFMKVCZ-UBNPUMAJSA-N
XLogP5.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.27
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (R)-(3-chlorophenyl)-[(1S,3S)-3-propylcyclohexyl]methanol;hydrochloride?
The IUPAC name of (R)-(3-chlorophenyl)-[(1S,3S)-3-propylcyclohexyl]methanol;hydrochloride (CID 158363901) is (R)-(3-chlorophenyl)-[(1S,3S)-3-propylcyclohexyl]methanol;hydrochloride.
What is the SMILES notation for (R)-(3-chlorophenyl)-[(1S,3S)-3-propylcyclohexyl]methanol;hydrochloride?
The canonical SMILES for (R)-(3-chlorophenyl)-[(1S,3S)-3-propylcyclohexyl]methanol;hydrochloride is CCC[C@H]1CCC[C@H]([C@@H](O)c2cccc(Cl)c2)C1.Cl.
What is the InChIKey of (R)-(3-chlorophenyl)-[(1S,3S)-3-propylcyclohexyl]methanol;hydrochloride?
The InChIKey is GMBBBDXLFMKVCZ-UBNPUMAJSA-N. The full InChI is InChI=1S/C16H23ClO.ClH/c1-2-5-12-6-3-7-13(10-12)16(18)14-8-4-9-15(17)11-14;/h4,8-9,11-13,16,18H,2-3,5-7,10H2,1H3;1H/t12-,13-,16+;/m0./s1.
What are the key properties of (R)-(3-chlorophenyl)-[(1S,3S)-3-propylcyclohexyl]methanol;hydrochloride?
(R)-(3-chlorophenyl)-[(1S,3S)-3-propylcyclohexyl]methanol;hydrochloride has a molecular weight of 303.27 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(3-chlorophenyl)-[(1S,3S)-3-propylcyclohexyl]methanol;hydrochloride is sourced from PubChem (CID 158363901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).