4-(cyclohexylmethoxy)-3,5-dimethylbenzoic acid

C16H22O3 — CID 43117999

IUPAC4-(cyclohexylmethoxy)-3,5-dimethylbenzoic acid
SMILESCc1cc(C(=O)O)cc(C)c1OCC1CCCCC1
InChIInChI=1S/C16H22O3/c1-11-8-14(16(17)18)9-12(2)15(11)19-10-13-6-4-3-5-7-13/h8-9,13H,3-7,10H2,1-2H3,(H,17,18)
InChIKeyYQOBKVLHJRYQGR-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.96
Rot. Bonds4

About 4-(cyclohexylmethoxy)-3,5-dimethylbenzoic acid

4-(cyclohexylmethoxy)-3,5-dimethylbenzoic acid (PubChem CID 43117999) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-(cyclohexylmethoxy)-3,5-dimethylbenzoic acid.

Molecular Properties

Compound Name4-(cyclohexylmethoxy)-3,5-dimethylbenzoic acid
PubChem CID43117999
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name4-(cyclohexylmethoxy)-3,5-dimethylbenzoic acid
SMILESCc1cc(C(=O)O)cc(C)c1OCC1CCCCC1
InChIInChI=1S/C16H22O3/c1-11-8-14(16(17)18)9-12(2)15(11)19-10-13-6-4-3-5-7-13/h8-9,13H,3-7,10H2,1-2H3,(H,17,18)
InChIKeyYQOBKVLHJRYQGR-UHFFFAOYSA-N
XLogP3.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethoxy)-3,5-dimethylbenzoic acid?
The IUPAC name of 4-(cyclohexylmethoxy)-3,5-dimethylbenzoic acid (CID 43117999) is 4-(cyclohexylmethoxy)-3,5-dimethylbenzoic acid.
What is the SMILES notation for 4-(cyclohexylmethoxy)-3,5-dimethylbenzoic acid?
The canonical SMILES for 4-(cyclohexylmethoxy)-3,5-dimethylbenzoic acid is Cc1cc(C(=O)O)cc(C)c1OCC1CCCCC1.
What is the InChIKey of 4-(cyclohexylmethoxy)-3,5-dimethylbenzoic acid?
The InChIKey is YQOBKVLHJRYQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-11-8-14(16(17)18)9-12(2)15(11)19-10-13-6-4-3-5-7-13/h8-9,13H,3-7,10H2,1-2H3,(H,17,18).
What are the key properties of 4-(cyclohexylmethoxy)-3,5-dimethylbenzoic acid?
4-(cyclohexylmethoxy)-3,5-dimethylbenzoic acid has a molecular weight of 262.35 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethoxy)-3,5-dimethylbenzoic acid is sourced from PubChem (CID 43117999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).