3,5-dimethyl-4-(4-methylcyclohexyl)oxybenzoic acid

C16H22O3 — CID 64749295

IUPAC3,5-dimethyl-4-(4-methylcyclohexyl)oxybenzoic acid
SMILESCc1cc(C(=O)O)cc(C)c1OC1CCC(C)CC1
InChIInChI=1S/C16H22O3/c1-10-4-6-14(7-5-10)19-15-11(2)8-13(16(17)18)9-12(15)3/h8-10,14H,4-7H2,1-3H3,(H,17,18)
InChIKeyLWPZAXFFZJUPDG-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.96
Rot. Bonds3

About 3,5-dimethyl-4-(4-methylcyclohexyl)oxybenzoic acid

3,5-dimethyl-4-(4-methylcyclohexyl)oxybenzoic acid (PubChem CID 64749295) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3,5-dimethyl-4-(4-methylcyclohexyl)oxybenzoic acid.

Molecular Properties

Compound Name3,5-dimethyl-4-(4-methylcyclohexyl)oxybenzoic acid
PubChem CID64749295
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name3,5-dimethyl-4-(4-methylcyclohexyl)oxybenzoic acid
SMILESCc1cc(C(=O)O)cc(C)c1OC1CCC(C)CC1
InChIInChI=1S/C16H22O3/c1-10-4-6-14(7-5-10)19-15-11(2)8-13(16(17)18)9-12(15)3/h8-10,14H,4-7H2,1-3H3,(H,17,18)
InChIKeyLWPZAXFFZJUPDG-UHFFFAOYSA-N
XLogP3.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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 3,5-dimethyl-4-(4-methylcyclohexyl)oxybenzoic acid?
The IUPAC name of 3,5-dimethyl-4-(4-methylcyclohexyl)oxybenzoic acid (CID 64749295) is 3,5-dimethyl-4-(4-methylcyclohexyl)oxybenzoic acid.
What is the SMILES notation for 3,5-dimethyl-4-(4-methylcyclohexyl)oxybenzoic acid?
The canonical SMILES for 3,5-dimethyl-4-(4-methylcyclohexyl)oxybenzoic acid is Cc1cc(C(=O)O)cc(C)c1OC1CCC(C)CC1.
What is the InChIKey of 3,5-dimethyl-4-(4-methylcyclohexyl)oxybenzoic acid?
The InChIKey is LWPZAXFFZJUPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-10-4-6-14(7-5-10)19-15-11(2)8-13(16(17)18)9-12(15)3/h8-10,14H,4-7H2,1-3H3,(H,17,18).
What are the key properties of 3,5-dimethyl-4-(4-methylcyclohexyl)oxybenzoic acid?
3,5-dimethyl-4-(4-methylcyclohexyl)oxybenzoic acid has a molecular weight of 262.35 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(4-methylcyclohexyl)oxybenzoic acid is sourced from PubChem (CID 64749295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).