5-chloro-2-cyclohexyloxy-3-methoxybenzoic acid

C14H17ClO4 — CID 113438795

IUPAC5-chloro-2-cyclohexyloxy-3-methoxybenzoic acid
SMILESCOc1cc(Cl)cc(C(=O)O)c1OC1CCCCC1
InChIInChI=1S/C14H17ClO4/c1-18-12-8-9(15)7-11(14(16)17)13(12)19-10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,16,17)
InChIKeyLGQFBFZYUQOMLB-UHFFFAOYSA-N
MW284.74 g/mol
LogP3.76
Rot. Bonds4

About 5-chloro-2-cyclohexyloxy-3-methoxybenzoic acid

5-chloro-2-cyclohexyloxy-3-methoxybenzoic acid (PubChem CID 113438795) has the molecular formula C14H17ClO4 and a molecular weight of 284.74 g/mol. Its IUPAC name is 5-chloro-2-cyclohexyloxy-3-methoxybenzoic acid.

Molecular Properties

Compound Name5-chloro-2-cyclohexyloxy-3-methoxybenzoic acid
PubChem CID113438795
Molecular FormulaC14H17ClO4
Molecular Weight284.74 g/mol
Exact Mass284.08
IUPAC Name5-chloro-2-cyclohexyloxy-3-methoxybenzoic acid
SMILESCOc1cc(Cl)cc(C(=O)O)c1OC1CCCCC1
InChIInChI=1S/C14H17ClO4/c1-18-12-8-9(15)7-11(14(16)17)13(12)19-10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,16,17)
InChIKeyLGQFBFZYUQOMLB-UHFFFAOYSA-N
XLogP3.76
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(cyclohexylmethoxy)-3-methoxybenzoic acid
CID 104665725
5-chloro-2-(cyclobutylmethoxy)-3-methoxybenzoic acid
CID 113438811
2-amino-3-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)propanoic acid
CID 117498947
5-chloro-2-cyclobutyloxy-3-methoxyphenol
CID 84692205
3-chloro-4-cyclopentyloxy-5-methoxybenzoic acid
CID 894048
4-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)butanoic acid
CID 117481287
5-chloro-2-cyclohexyloxybenzoic acid
CID 43141867
4-chloro-2-cyclohexyloxybenzoic acid
CID 61379499
O-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]hydroxylamine
CID 117397784
1-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)cyclopropan-1-ol
CID 117454602
2-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)-2-oxoacetic acid
CID 117481061
5-chloro-3-methoxy-2-(methoxymethoxy)benzoic acid
CID 104665647

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-cyclohexyloxy-3-methoxybenzoic acid?
The IUPAC name of 5-chloro-2-cyclohexyloxy-3-methoxybenzoic acid (CID 113438795) is 5-chloro-2-cyclohexyloxy-3-methoxybenzoic acid.
What is the SMILES notation for 5-chloro-2-cyclohexyloxy-3-methoxybenzoic acid?
The canonical SMILES for 5-chloro-2-cyclohexyloxy-3-methoxybenzoic acid is COc1cc(Cl)cc(C(=O)O)c1OC1CCCCC1.
What is the InChIKey of 5-chloro-2-cyclohexyloxy-3-methoxybenzoic acid?
The InChIKey is LGQFBFZYUQOMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO4/c1-18-12-8-9(15)7-11(14(16)17)13(12)19-10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,16,17).
What are the key properties of 5-chloro-2-cyclohexyloxy-3-methoxybenzoic acid?
5-chloro-2-cyclohexyloxy-3-methoxybenzoic acid has a molecular weight of 284.74 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-cyclohexyloxy-3-methoxybenzoic acid is sourced from PubChem (CID 113438795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).