(1R)-2-(3-fluorophenyl)-1-[(6S)-2,2,6-trimethylcyclohexyl]ethanol

C17H25FO — CID 71582376

IUPAC(1R)-2-(3-fluorophenyl)-1-[(6S)-2,2,6-trimethylcyclohexyl]ethanol
SMILESC[C@H]1CCCC(C)(C)C1[C@H](O)Cc1cccc(F)c1
InChIInChI=1S/C17H25FO/c1-12-6-5-9-17(2,3)16(12)15(19)11-13-7-4-8-14(18)10-13/h4,7-8,10,12,15-16,19H,5-6,9,11H2,1-3H3/t12-,15+,16?/m0/s1
InChIKeyULWPYMYHEXQNLY-PNMZXMJCSA-N
MW264.38 g/mol
LogP4.19
Rot. Bonds3

About (1R)-2-(3-fluorophenyl)-1-[(6S)-2,2,6-trimethylcyclohexyl]ethanol

(1R)-2-(3-fluorophenyl)-1-[(6S)-2,2,6-trimethylcyclohexyl]ethanol (PubChem CID 71582376) has the molecular formula C17H25FO and a molecular weight of 264.38 g/mol. Its IUPAC name is (1R)-2-(3-fluorophenyl)-1-[(6S)-2,2,6-trimethylcyclohexyl]ethanol.

Molecular Properties

Compound Name(1R)-2-(3-fluorophenyl)-1-[(6S)-2,2,6-trimethylcyclohexyl]ethanol
PubChem CID71582376
Molecular FormulaC17H25FO
Molecular Weight264.38 g/mol
Exact Mass264.19
IUPAC Name(1R)-2-(3-fluorophenyl)-1-[(6S)-2,2,6-trimethylcyclohexyl]ethanol
SMILESC[C@H]1CCCC(C)(C)C1[C@H](O)Cc1cccc(F)c1
InChIInChI=1S/C17H25FO/c1-12-6-5-9-17(2,3)16(12)15(19)11-13-7-4-8-14(18)10-13/h4,7-8,10,12,15-16,19H,5-6,9,11H2,1-3H3/t12-,15+,16?/m0/s1
InChIKeyULWPYMYHEXQNLY-PNMZXMJCSA-N
XLogP4.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-(3-fluorophenyl)-1-[(6S)-2,2,6-trimethylcyclohexyl]ethanol?
The IUPAC name of (1R)-2-(3-fluorophenyl)-1-[(6S)-2,2,6-trimethylcyclohexyl]ethanol (CID 71582376) is (1R)-2-(3-fluorophenyl)-1-[(6S)-2,2,6-trimethylcyclohexyl]ethanol.
What is the SMILES notation for (1R)-2-(3-fluorophenyl)-1-[(6S)-2,2,6-trimethylcyclohexyl]ethanol?
The canonical SMILES for (1R)-2-(3-fluorophenyl)-1-[(6S)-2,2,6-trimethylcyclohexyl]ethanol is C[C@H]1CCCC(C)(C)C1[C@H](O)Cc1cccc(F)c1.
What is the InChIKey of (1R)-2-(3-fluorophenyl)-1-[(6S)-2,2,6-trimethylcyclohexyl]ethanol?
The InChIKey is ULWPYMYHEXQNLY-PNMZXMJCSA-N. The full InChI is InChI=1S/C17H25FO/c1-12-6-5-9-17(2,3)16(12)15(19)11-13-7-4-8-14(18)10-13/h4,7-8,10,12,15-16,19H,5-6,9,11H2,1-3H3/t12-,15+,16?/m0/s1.
What are the key properties of (1R)-2-(3-fluorophenyl)-1-[(6S)-2,2,6-trimethylcyclohexyl]ethanol?
(1R)-2-(3-fluorophenyl)-1-[(6S)-2,2,6-trimethylcyclohexyl]ethanol has a molecular weight of 264.38 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(3-fluorophenyl)-1-[(6S)-2,2,6-trimethylcyclohexyl]ethanol is sourced from PubChem (CID 71582376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).