methyl 1-(3-fluoro-2-methylphenyl)-3-hydroxy-3-methylcyclopentane-1-carboxylate

C15H19FO3 — CID 123525723

IUPACmethyl 1-(3-fluoro-2-methylphenyl)-3-hydroxy-3-methylcyclopentane-1-carboxylate
SMILESCOC(=O)C1(c2cccc(F)c2C)CCC(C)(O)C1
InChIInChI=1S/C15H19FO3/c1-10-11(5-4-6-12(10)16)15(13(17)19-3)8-7-14(2,18)9-15/h4-6,18H,7-9H2,1-3H3
InChIKeyKYCHRWBGJVXYHT-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.48
Rot. Bonds2

About methyl 1-(3-fluoro-2-methylphenyl)-3-hydroxy-3-methylcyclopentane-1-carboxylate

methyl 1-(3-fluoro-2-methylphenyl)-3-hydroxy-3-methylcyclopentane-1-carboxylate (PubChem CID 123525723) has the molecular formula C15H19FO3 and a molecular weight of 266.31 g/mol. Its IUPAC name is methyl 1-(3-fluoro-2-methylphenyl)-3-hydroxy-3-methylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-fluoro-2-methylphenyl)-3-hydroxy-3-methylcyclopentane-1-carboxylate
PubChem CID123525723
Molecular FormulaC15H19FO3
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Namemethyl 1-(3-fluoro-2-methylphenyl)-3-hydroxy-3-methylcyclopentane-1-carboxylate
SMILESCOC(=O)C1(c2cccc(F)c2C)CCC(C)(O)C1
InChIInChI=1S/C15H19FO3/c1-10-11(5-4-6-12(10)16)15(13(17)19-3)8-7-14(2,18)9-15/h4-6,18H,7-9H2,1-3H3
InChIKeyKYCHRWBGJVXYHT-UHFFFAOYSA-N
XLogP2.48
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-fluoro-2-methylphenyl)-3-hydroxy-3-methylcyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(3-fluoro-2-methylphenyl)-3-hydroxy-3-methylcyclopentane-1-carboxylate (CID 123525723) is methyl 1-(3-fluoro-2-methylphenyl)-3-hydroxy-3-methylcyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(3-fluoro-2-methylphenyl)-3-hydroxy-3-methylcyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(3-fluoro-2-methylphenyl)-3-hydroxy-3-methylcyclopentane-1-carboxylate is COC(=O)C1(c2cccc(F)c2C)CCC(C)(O)C1.
What is the InChIKey of methyl 1-(3-fluoro-2-methylphenyl)-3-hydroxy-3-methylcyclopentane-1-carboxylate?
The InChIKey is KYCHRWBGJVXYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO3/c1-10-11(5-4-6-12(10)16)15(13(17)19-3)8-7-14(2,18)9-15/h4-6,18H,7-9H2,1-3H3.
What are the key properties of methyl 1-(3-fluoro-2-methylphenyl)-3-hydroxy-3-methylcyclopentane-1-carboxylate?
methyl 1-(3-fluoro-2-methylphenyl)-3-hydroxy-3-methylcyclopentane-1-carboxylate has a molecular weight of 266.31 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-fluoro-2-methylphenyl)-3-hydroxy-3-methylcyclopentane-1-carboxylate is sourced from PubChem (CID 123525723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).