5-chloro-2-(cyclohexylmethoxy)-3-methoxybenzoic acid

C15H19ClO4 — CID 104665725

IUPAC5-chloro-2-(cyclohexylmethoxy)-3-methoxybenzoic acid
SMILESCOc1cc(Cl)cc(C(=O)O)c1OCC1CCCCC1
InChIInChI=1S/C15H19ClO4/c1-19-13-8-11(16)7-12(15(17)18)14(13)20-9-10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3,(H,17,18)
InChIKeyQCINOWQBNXESQU-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.01
Rot. Bonds5

About 5-chloro-2-(cyclohexylmethoxy)-3-methoxybenzoic acid

5-chloro-2-(cyclohexylmethoxy)-3-methoxybenzoic acid (PubChem CID 104665725) has the molecular formula C15H19ClO4 and a molecular weight of 298.77 g/mol. Its IUPAC name is 5-chloro-2-(cyclohexylmethoxy)-3-methoxybenzoic acid.

Molecular Properties

Compound Name5-chloro-2-(cyclohexylmethoxy)-3-methoxybenzoic acid
PubChem CID104665725
Molecular FormulaC15H19ClO4
Molecular Weight298.77 g/mol
Exact Mass298.10
IUPAC Name5-chloro-2-(cyclohexylmethoxy)-3-methoxybenzoic acid
SMILESCOc1cc(Cl)cc(C(=O)O)c1OCC1CCCCC1
InChIInChI=1S/C15H19ClO4/c1-19-13-8-11(16)7-12(15(17)18)14(13)20-9-10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3,(H,17,18)
InChIKeyQCINOWQBNXESQU-UHFFFAOYSA-N
XLogP4.01
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(cyclobutylmethoxy)-3-methoxybenzoic acid
CID 113438811
5-chloro-2-cyclohexyloxy-3-methoxybenzoic acid
CID 113438795
3,5-dichloro-2-(cyclobutylmethoxy)benzoic acid
CID 65457585
5-chloro-3-methoxy-2-(methoxymethoxy)benzoic acid
CID 104665647
4-chloro-2-(cyclohexylmethoxy)benzoic acid
CID 61379401
5-chloro-3-methoxy-2-prop-2-ynoxybenzoic acid
CID 19693334
5-chloro-3-methoxy-2-(3-methylbutoxy)benzoic acid
CID 113438800
5-chloro-2-heptoxy-3-methoxybenzoic acid
CID 104665678
5-chloro-3-methoxy-2-(2-methylbutoxy)benzoic acid
CID 113438799
5-chloro-2-(2-ethoxy-2-oxoethoxy)-3-methoxybenzoic acid
CID 113438814
[4-(cyclohexylmethoxy)-3,5-dimethoxyphenyl]methanol
CID 15752535
[3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanol
CID 61343380

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(cyclohexylmethoxy)-3-methoxybenzoic acid?
The IUPAC name of 5-chloro-2-(cyclohexylmethoxy)-3-methoxybenzoic acid (CID 104665725) is 5-chloro-2-(cyclohexylmethoxy)-3-methoxybenzoic acid.
What is the SMILES notation for 5-chloro-2-(cyclohexylmethoxy)-3-methoxybenzoic acid?
The canonical SMILES for 5-chloro-2-(cyclohexylmethoxy)-3-methoxybenzoic acid is COc1cc(Cl)cc(C(=O)O)c1OCC1CCCCC1.
What is the InChIKey of 5-chloro-2-(cyclohexylmethoxy)-3-methoxybenzoic acid?
The InChIKey is QCINOWQBNXESQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO4/c1-19-13-8-11(16)7-12(15(17)18)14(13)20-9-10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3,(H,17,18).
What are the key properties of 5-chloro-2-(cyclohexylmethoxy)-3-methoxybenzoic acid?
5-chloro-2-(cyclohexylmethoxy)-3-methoxybenzoic acid has a molecular weight of 298.77 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(cyclohexylmethoxy)-3-methoxybenzoic acid is sourced from PubChem (CID 104665725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).