(S)-(3,5-difluorophenyl)-[(1S,3S)-3-propylcyclohexyl]methanol

C16H22F2O — CID 160948518

IUPAC(S)-(3,5-difluorophenyl)-[(1S,3S)-3-propylcyclohexyl]methanol
SMILESCCC[C@H]1CCC[C@H]([C@H](O)c2cc(F)cc(F)c2)C1
InChIInChI=1S/C16H22F2O/c1-2-4-11-5-3-6-12(7-11)16(19)13-8-14(17)10-15(18)9-13/h8-12,16,19H,2-7H2,1H3/t11-,12-,16-/m0/s1
InChIKeySVLCIJQIISKKJR-MKBNYLNASA-N
MW268.35 g/mol
LogP4.60
Rot. Bonds4

About (S)-(3,5-difluorophenyl)-[(1S,3S)-3-propylcyclohexyl]methanol

(S)-(3,5-difluorophenyl)-[(1S,3S)-3-propylcyclohexyl]methanol (PubChem CID 160948518) has the molecular formula C16H22F2O and a molecular weight of 268.35 g/mol. Its IUPAC name is (S)-(3,5-difluorophenyl)-[(1S,3S)-3-propylcyclohexyl]methanol.

Molecular Properties

Compound Name(S)-(3,5-difluorophenyl)-[(1S,3S)-3-propylcyclohexyl]methanol
PubChem CID160948518
Molecular FormulaC16H22F2O
Molecular Weight268.35 g/mol
Exact Mass268.16
IUPAC Name(S)-(3,5-difluorophenyl)-[(1S,3S)-3-propylcyclohexyl]methanol
SMILESCCC[C@H]1CCC[C@H]([C@H](O)c2cc(F)cc(F)c2)C1
InChIInChI=1S/C16H22F2O/c1-2-4-11-5-3-6-12(7-11)16(19)13-8-14(17)10-15(18)9-13/h8-12,16,19H,2-7H2,1H3/t11-,12-,16-/m0/s1
InChIKeySVLCIJQIISKKJR-MKBNYLNASA-N
XLogP4.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (S)-(3,5-difluorophenyl)-[(1S,3S)-3-propylcyclohexyl]methanol?
The IUPAC name of (S)-(3,5-difluorophenyl)-[(1S,3S)-3-propylcyclohexyl]methanol (CID 160948518) is (S)-(3,5-difluorophenyl)-[(1S,3S)-3-propylcyclohexyl]methanol.
What is the SMILES notation for (S)-(3,5-difluorophenyl)-[(1S,3S)-3-propylcyclohexyl]methanol?
The canonical SMILES for (S)-(3,5-difluorophenyl)-[(1S,3S)-3-propylcyclohexyl]methanol is CCC[C@H]1CCC[C@H]([C@H](O)c2cc(F)cc(F)c2)C1.
What is the InChIKey of (S)-(3,5-difluorophenyl)-[(1S,3S)-3-propylcyclohexyl]methanol?
The InChIKey is SVLCIJQIISKKJR-MKBNYLNASA-N. The full InChI is InChI=1S/C16H22F2O/c1-2-4-11-5-3-6-12(7-11)16(19)13-8-14(17)10-15(18)9-13/h8-12,16,19H,2-7H2,1H3/t11-,12-,16-/m0/s1.
What are the key properties of (S)-(3,5-difluorophenyl)-[(1S,3S)-3-propylcyclohexyl]methanol?
(S)-(3,5-difluorophenyl)-[(1S,3S)-3-propylcyclohexyl]methanol has a molecular weight of 268.35 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3,5-difluorophenyl)-[(1S,3S)-3-propylcyclohexyl]methanol is sourced from PubChem (CID 160948518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).