(4-fluorophenyl)-[(1S,6S)-2,2,6-trimethylcyclohexyl]methanol

C16H23FO — CID 71117110

IUPAC(4-fluorophenyl)-[(1S,6S)-2,2,6-trimethylcyclohexyl]methanol
SMILESC[C@H]1CCCC(C)(C)[C@H]1C(O)c1ccc(F)cc1
InChIInChI=1S/C16H23FO/c1-11-5-4-10-16(2,3)14(11)15(18)12-6-8-13(17)9-7-12/h6-9,11,14-15,18H,4-5,10H2,1-3H3/t11-,14+,15?/m0/s1
InChIKeyIDJOMMFILWJWBG-NFCBODTESA-N
MW250.36 g/mol
LogP4.32
Rot. Bonds2

About (4-fluorophenyl)-[(1S,6S)-2,2,6-trimethylcyclohexyl]methanol

(4-fluorophenyl)-[(1S,6S)-2,2,6-trimethylcyclohexyl]methanol (PubChem CID 71117110) has the molecular formula C16H23FO and a molecular weight of 250.36 g/mol. Its IUPAC name is (4-fluorophenyl)-[(1S,6S)-2,2,6-trimethylcyclohexyl]methanol.

Molecular Properties

Compound Name(4-fluorophenyl)-[(1S,6S)-2,2,6-trimethylcyclohexyl]methanol
PubChem CID71117110
Molecular FormulaC16H23FO
Molecular Weight250.36 g/mol
Exact Mass250.17
IUPAC Name(4-fluorophenyl)-[(1S,6S)-2,2,6-trimethylcyclohexyl]methanol
SMILESC[C@H]1CCCC(C)(C)[C@H]1C(O)c1ccc(F)cc1
InChIInChI=1S/C16H23FO/c1-11-5-4-10-16(2,3)14(11)15(18)12-6-8-13(17)9-7-12/h6-9,11,14-15,18H,4-5,10H2,1-3H3/t11-,14+,15?/m0/s1
InChIKeyIDJOMMFILWJWBG-NFCBODTESA-N
XLogP4.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[(1S,6S)-2,2,6-trimethylcyclohexyl]methanol?
The IUPAC name of (4-fluorophenyl)-[(1S,6S)-2,2,6-trimethylcyclohexyl]methanol (CID 71117110) is (4-fluorophenyl)-[(1S,6S)-2,2,6-trimethylcyclohexyl]methanol.
What is the SMILES notation for (4-fluorophenyl)-[(1S,6S)-2,2,6-trimethylcyclohexyl]methanol?
The canonical SMILES for (4-fluorophenyl)-[(1S,6S)-2,2,6-trimethylcyclohexyl]methanol is C[C@H]1CCCC(C)(C)[C@H]1C(O)c1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)-[(1S,6S)-2,2,6-trimethylcyclohexyl]methanol?
The InChIKey is IDJOMMFILWJWBG-NFCBODTESA-N. The full InChI is InChI=1S/C16H23FO/c1-11-5-4-10-16(2,3)14(11)15(18)12-6-8-13(17)9-7-12/h6-9,11,14-15,18H,4-5,10H2,1-3H3/t11-,14+,15?/m0/s1.
What are the key properties of (4-fluorophenyl)-[(1S,6S)-2,2,6-trimethylcyclohexyl]methanol?
(4-fluorophenyl)-[(1S,6S)-2,2,6-trimethylcyclohexyl]methanol has a molecular weight of 250.36 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[(1S,6S)-2,2,6-trimethylcyclohexyl]methanol is sourced from PubChem (CID 71117110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).