4-(cyclopropylmethoxy)-4-(5-fluoro-2-pyridinyl)-1-phenylcyclohexane-1-carboxylic acid

C22H24FNO3 — CID 59442570

IUPAC4-(cyclopropylmethoxy)-4-(5-fluoro-2-pyridinyl)-1-phenylcyclohexane-1-carboxylic acid
SMILESO=C(O)C1(c2ccccc2)CCC(OCC2CC2)(c2ccc(F)cn2)CC1
InChIInChI=1S/C22H24FNO3/c23-18-8-9-19(24-14-18)22(27-15-16-6-7-16)12-10-21(11-13-22,20(25)26)17-4-2-1-3-5-17/h1-5,8-9,14,16H,6-7,10-13,15H2,(H,25,26)
InChIKeyQQLJAMOPIRVVAE-UHFFFAOYSA-N
MW369.44 g/mol
LogP4.44
Rot. Bonds6

About 4-(cyclopropylmethoxy)-4-(5-fluoro-2-pyridinyl)-1-phenylcyclohexane-1-carboxylic acid

4-(cyclopropylmethoxy)-4-(5-fluoro-2-pyridinyl)-1-phenylcyclohexane-1-carboxylic acid (PubChem CID 59442570) has the molecular formula C22H24FNO3 and a molecular weight of 369.44 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-4-(5-fluoro-2-pyridinyl)-1-phenylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-4-(5-fluoro-2-pyridinyl)-1-phenylcyclohexane-1-carboxylic acid
PubChem CID59442570
Molecular FormulaC22H24FNO3
Molecular Weight369.44 g/mol
Exact Mass369.17
IUPAC Name4-(cyclopropylmethoxy)-4-(5-fluoro-2-pyridinyl)-1-phenylcyclohexane-1-carboxylic acid
SMILESO=C(O)C1(c2ccccc2)CCC(OCC2CC2)(c2ccc(F)cn2)CC1
InChIInChI=1S/C22H24FNO3/c23-18-8-9-19(24-14-18)22(27-15-16-6-7-16)12-10-21(11-13-22,20(25)26)17-4-2-1-3-5-17/h1-5,8-9,14,16H,6-7,10-13,15H2,(H,25,26)
InChIKeyQQLJAMOPIRVVAE-UHFFFAOYSA-N
XLogP4.44
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-4-(5-fluoro-2-pyridinyl)-1-phenylcyclohexane-1-carboxylic acid?
The IUPAC name of 4-(cyclopropylmethoxy)-4-(5-fluoro-2-pyridinyl)-1-phenylcyclohexane-1-carboxylic acid (CID 59442570) is 4-(cyclopropylmethoxy)-4-(5-fluoro-2-pyridinyl)-1-phenylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(cyclopropylmethoxy)-4-(5-fluoro-2-pyridinyl)-1-phenylcyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(cyclopropylmethoxy)-4-(5-fluoro-2-pyridinyl)-1-phenylcyclohexane-1-carboxylic acid is O=C(O)C1(c2ccccc2)CCC(OCC2CC2)(c2ccc(F)cn2)CC1.
What is the InChIKey of 4-(cyclopropylmethoxy)-4-(5-fluoro-2-pyridinyl)-1-phenylcyclohexane-1-carboxylic acid?
The InChIKey is QQLJAMOPIRVVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO3/c23-18-8-9-19(24-14-18)22(27-15-16-6-7-16)12-10-21(11-13-22,20(25)26)17-4-2-1-3-5-17/h1-5,8-9,14,16H,6-7,10-13,15H2,(H,25,26).
What are the key properties of 4-(cyclopropylmethoxy)-4-(5-fluoro-2-pyridinyl)-1-phenylcyclohexane-1-carboxylic acid?
4-(cyclopropylmethoxy)-4-(5-fluoro-2-pyridinyl)-1-phenylcyclohexane-1-carboxylic acid has a molecular weight of 369.44 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-4-(5-fluoro-2-pyridinyl)-1-phenylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 59442570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).