fluoro 2-[4-(4-hydroxyphenyl)cyclohexyl]acetate

C14H17FO3 — CID 145078268

IUPACfluoro 2-[4-(4-hydroxyphenyl)cyclohexyl]acetate
SMILESO=C(CC1CCC(c2ccc(O)cc2)CC1)OF
InChIInChI=1S/C14H17FO3/c15-18-14(17)9-10-1-3-11(4-2-10)12-5-7-13(16)8-6-12/h5-8,10-11,16H,1-4,9H2
InChIKeyRHCGRFOMBSEMJA-UHFFFAOYSA-N
MW252.28 g/mol
LogP3.48
Rot. Bonds3

About fluoro 2-[4-(4-hydroxyphenyl)cyclohexyl]acetate

fluoro 2-[4-(4-hydroxyphenyl)cyclohexyl]acetate (PubChem CID 145078268) has the molecular formula C14H17FO3 and a molecular weight of 252.28 g/mol. Its IUPAC name is fluoro 2-[4-(4-hydroxyphenyl)cyclohexyl]acetate.

Molecular Properties

Compound Namefluoro 2-[4-(4-hydroxyphenyl)cyclohexyl]acetate
PubChem CID145078268
Molecular FormulaC14H17FO3
Molecular Weight252.28 g/mol
Exact Mass252.12
IUPAC Namefluoro 2-[4-(4-hydroxyphenyl)cyclohexyl]acetate
SMILESO=C(CC1CCC(c2ccc(O)cc2)CC1)OF
InChIInChI=1S/C14H17FO3/c15-18-14(17)9-10-1-3-11(4-2-10)12-5-7-13(16)8-6-12/h5-8,10-11,16H,1-4,9H2
InChIKeyRHCGRFOMBSEMJA-UHFFFAOYSA-N
XLogP3.48
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of fluoro 2-[4-(4-hydroxyphenyl)cyclohexyl]acetate?
The IUPAC name of fluoro 2-[4-(4-hydroxyphenyl)cyclohexyl]acetate (CID 145078268) is fluoro 2-[4-(4-hydroxyphenyl)cyclohexyl]acetate.
What is the SMILES notation for fluoro 2-[4-(4-hydroxyphenyl)cyclohexyl]acetate?
The canonical SMILES for fluoro 2-[4-(4-hydroxyphenyl)cyclohexyl]acetate is O=C(CC1CCC(c2ccc(O)cc2)CC1)OF.
What is the InChIKey of fluoro 2-[4-(4-hydroxyphenyl)cyclohexyl]acetate?
The InChIKey is RHCGRFOMBSEMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO3/c15-18-14(17)9-10-1-3-11(4-2-10)12-5-7-13(16)8-6-12/h5-8,10-11,16H,1-4,9H2.
What are the key properties of fluoro 2-[4-(4-hydroxyphenyl)cyclohexyl]acetate?
fluoro 2-[4-(4-hydroxyphenyl)cyclohexyl]acetate has a molecular weight of 252.28 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-[4-(4-hydroxyphenyl)cyclohexyl]acetate is sourced from PubChem (CID 145078268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).