(1S)-1-(2-cycloheptyloxy-5-fluorophenyl)ethanol

C15H21FO2 — CID 82929051

IUPAC(1S)-1-(2-cycloheptyloxy-5-fluorophenyl)ethanol
SMILESC[C@H](O)c1cc(F)ccc1OC1CCCCCC1
InChIInChI=1S/C15H21FO2/c1-11(17)14-10-12(16)8-9-15(14)18-13-6-4-2-3-5-7-13/h8-11,13,17H,2-7H2,1H3/t11-/m0/s1
InChIKeyNRGRPHXIRJHADT-NSHDSACASA-N
MW252.33 g/mol
LogP3.98
Rot. Bonds3

About (1S)-1-(2-cycloheptyloxy-5-fluorophenyl)ethanol

(1S)-1-(2-cycloheptyloxy-5-fluorophenyl)ethanol (PubChem CID 82929051) has the molecular formula C15H21FO2 and a molecular weight of 252.33 g/mol. Its IUPAC name is (1S)-1-(2-cycloheptyloxy-5-fluorophenyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(2-cycloheptyloxy-5-fluorophenyl)ethanol
PubChem CID82929051
Molecular FormulaC15H21FO2
Molecular Weight252.33 g/mol
Exact Mass252.15
IUPAC Name(1S)-1-(2-cycloheptyloxy-5-fluorophenyl)ethanol
SMILESC[C@H](O)c1cc(F)ccc1OC1CCCCCC1
InChIInChI=1S/C15H21FO2/c1-11(17)14-10-12(16)8-9-15(14)18-13-6-4-2-3-5-7-13/h8-11,13,17H,2-7H2,1H3/t11-/m0/s1
InChIKeyNRGRPHXIRJHADT-NSHDSACASA-N
XLogP3.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cyclohexyloxy-4-fluorophenyl)ethanol
CID 63067859
N-[1-(2-cyclopentyloxy-5-fluorophenyl)ethyl]propan-1-amine
CID 43284936
(1S)-1-(2-cycloheptyloxy-4-methylphenyl)ethanol
CID 82928224
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266
(1S)-1-(5-chloro-2-cyclopropyloxyphenyl)ethanol
CID 130562903
1-[2-[cycloheptyl(methyl)amino]-5-fluorophenyl]ethanol
CID 43614231
2-cyclohexyloxy-4-fluoro-1-methylbenzene
CID 102990540
1-(2-cyclopentyloxy-4-methylphenyl)ethanol
CID 63650282
3-amino-2-(2-cyclobutyloxy-5-fluorophenyl)propanoic acid
CID 117385574
(1S)-1-[5-bromo-2-(3-methoxycyclohexyl)oxyphenyl]ethanol
CID 78958654
(2-cyclohexyloxy-5-fluorophenyl)-trifluoroboranuide
CID 63705372
(1R)-1-[5-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol
CID 104940321

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-cycloheptyloxy-5-fluorophenyl)ethanol?
The IUPAC name of (1S)-1-(2-cycloheptyloxy-5-fluorophenyl)ethanol (CID 82929051) is (1S)-1-(2-cycloheptyloxy-5-fluorophenyl)ethanol.
What is the SMILES notation for (1S)-1-(2-cycloheptyloxy-5-fluorophenyl)ethanol?
The canonical SMILES for (1S)-1-(2-cycloheptyloxy-5-fluorophenyl)ethanol is C[C@H](O)c1cc(F)ccc1OC1CCCCCC1.
What is the InChIKey of (1S)-1-(2-cycloheptyloxy-5-fluorophenyl)ethanol?
The InChIKey is NRGRPHXIRJHADT-NSHDSACASA-N. The full InChI is InChI=1S/C15H21FO2/c1-11(17)14-10-12(16)8-9-15(14)18-13-6-4-2-3-5-7-13/h8-11,13,17H,2-7H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-(2-cycloheptyloxy-5-fluorophenyl)ethanol?
(1S)-1-(2-cycloheptyloxy-5-fluorophenyl)ethanol has a molecular weight of 252.33 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-cycloheptyloxy-5-fluorophenyl)ethanol is sourced from PubChem (CID 82929051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).