4-(4-fluoro-2-propan-2-yloxyphenyl)cyclohexane-1-carboxylic acid

C16H21FO3 — CID 171115826

IUPAC4-(4-fluoro-2-propan-2-yloxyphenyl)cyclohexane-1-carboxylic acid
SMILESCC(C)Oc1cc(F)ccc1C1CCC(C(=O)O)CC1
InChIInChI=1S/C16H21FO3/c1-10(2)20-15-9-13(17)7-8-14(15)11-3-5-12(6-4-11)16(18)19/h7-12H,3-6H2,1-2H3,(H,18,19)
InChIKeyNDSSZPHTXRMIEH-UHFFFAOYSA-N
MW280.34 g/mol
LogP3.97
Rot. Bonds4

About 4-(4-fluoro-2-propan-2-yloxyphenyl)cyclohexane-1-carboxylic acid

4-(4-fluoro-2-propan-2-yloxyphenyl)cyclohexane-1-carboxylic acid (PubChem CID 171115826) has the molecular formula C16H21FO3 and a molecular weight of 280.34 g/mol. Its IUPAC name is 4-(4-fluoro-2-propan-2-yloxyphenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-fluoro-2-propan-2-yloxyphenyl)cyclohexane-1-carboxylic acid
PubChem CID171115826
Molecular FormulaC16H21FO3
Molecular Weight280.34 g/mol
Exact Mass280.15
IUPAC Name4-(4-fluoro-2-propan-2-yloxyphenyl)cyclohexane-1-carboxylic acid
SMILESCC(C)Oc1cc(F)ccc1C1CCC(C(=O)O)CC1
InChIInChI=1S/C16H21FO3/c1-10(2)20-15-9-13(17)7-8-14(15)11-3-5-12(6-4-11)16(18)19/h7-12H,3-6H2,1-2H3,(H,18,19)
InChIKeyNDSSZPHTXRMIEH-UHFFFAOYSA-N
XLogP3.97
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-2-propan-2-yloxybenzene
CID 121339492
cyclopropanecarboxylic acid;1-fluoro-3-methylbenzene
CID 144506974
4-[2-(difluoromethoxy)-4-fluoroanilino]cyclohexane-1-carboxylic acid
CID 122029934
2-cyclopropyl-5-fluorobenzoic acid
CID 62490498
4-(2-methoxy-5-methylphenyl)cyclohexane-1-carboxylic acid
CID 83652520
1-[(2S)-2-(2-chloro-4-fluorophenoxy)propanoyl]piperidine-4-carboxylic acid
CID 124695068
4-(2,4-difluoro-N-methylanilino)cyclohexane-1-carboxylic acid
CID 115149069
cis-(1S,3R)-3-[2-(2-bromo-4-fluorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 120675875
(2S)-1-(4-cyclopropyl-3-propan-2-yloxybenzoyl)-4,4-difluoropyrrolidine-2-carboxamide
CID 129216413
(3R)-3-cyclopropyl-5-(4-cyclopropyl-3-propan-2-yloxyphenyl)-3-methyl-5-oxopentanamide
CID 160992825
4-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-propan-2-yloxybenzamide
CID 135350899
4-fluoro-1-methoxy-2-propan-2-yloxybenzene
CID 126993061

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-propan-2-yloxyphenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(4-fluoro-2-propan-2-yloxyphenyl)cyclohexane-1-carboxylic acid (CID 171115826) is 4-(4-fluoro-2-propan-2-yloxyphenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(4-fluoro-2-propan-2-yloxyphenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(4-fluoro-2-propan-2-yloxyphenyl)cyclohexane-1-carboxylic acid is CC(C)Oc1cc(F)ccc1C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-(4-fluoro-2-propan-2-yloxyphenyl)cyclohexane-1-carboxylic acid?
The InChIKey is NDSSZPHTXRMIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FO3/c1-10(2)20-15-9-13(17)7-8-14(15)11-3-5-12(6-4-11)16(18)19/h7-12H,3-6H2,1-2H3,(H,18,19).
What are the key properties of 4-(4-fluoro-2-propan-2-yloxyphenyl)cyclohexane-1-carboxylic acid?
4-(4-fluoro-2-propan-2-yloxyphenyl)cyclohexane-1-carboxylic acid has a molecular weight of 280.34 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-propan-2-yloxyphenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 171115826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).