4-[(4-methylcyclohexyl)oxymethyl]benzoic acid

C15H20O3 — CID 43185253

IUPAC4-[(4-methylcyclohexyl)oxymethyl]benzoic acid
SMILESCC1CCC(OCc2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C15H20O3/c1-11-2-8-14(9-3-11)18-10-12-4-6-13(7-5-12)15(16)17/h4-7,11,14H,2-3,8-10H2,1H3,(H,16,17)
InChIKeyHDYQLXKRKQGDFN-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.48
Rot. Bonds4

About 4-[(4-methylcyclohexyl)oxymethyl]benzoic acid

4-[(4-methylcyclohexyl)oxymethyl]benzoic acid (PubChem CID 43185253) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 4-[(4-methylcyclohexyl)oxymethyl]benzoic acid.

Molecular Properties

Compound Name4-[(4-methylcyclohexyl)oxymethyl]benzoic acid
PubChem CID43185253
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name4-[(4-methylcyclohexyl)oxymethyl]benzoic acid
SMILESCC1CCC(OCc2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C15H20O3/c1-11-2-8-14(9-3-11)18-10-12-4-6-13(7-5-12)15(16)17/h4-7,11,14H,2-3,8-10H2,1H3,(H,16,17)
InChIKeyHDYQLXKRKQGDFN-UHFFFAOYSA-N
XLogP3.48
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-dimethylcyclohexane;terephthalic acid
CID 66647934
1-iodo-4-[(4-methylcyclohexyl)oxymethyl]benzene
CID 65491519
1-[4-[(4-methylcyclooctyl)oxymethyl]phenyl]propan-2-one
CID 123996807
(4-phenylmethoxycyclohexyl) 4-methylcyclohexane-1-carboxylate
CID 144529311
4-[[[4-(oxan-4-yloxymethyl)phenyl]methylamino]methyl]benzoic acid
CID 122032102
4-[[4-(hydroxymethyl)cyclohexyl]oxymethyl]benzamide
CID 106825421
4-(4-methylcyclohexyl)benzoic acid
CID 56632428
4-(4-phenylmethoxycyclohexyl)butan-2-one
CID 67412875
(4-propylcyclohexyl)oxymethylbenzene
CID 147199890
2-chloro-5-[(4-methylcyclohexyl)oxymethyl]aniline
CID 43169048
1-(4-fluorophenyl)-2-(4-methylcyclohexyl)oxyethanone
CID 43798677
4-[(2-methylpropan-2-yl)oxymethyl]benzoic acid
CID 4694749

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylcyclohexyl)oxymethyl]benzoic acid?
The IUPAC name of 4-[(4-methylcyclohexyl)oxymethyl]benzoic acid (CID 43185253) is 4-[(4-methylcyclohexyl)oxymethyl]benzoic acid.
What is the SMILES notation for 4-[(4-methylcyclohexyl)oxymethyl]benzoic acid?
The canonical SMILES for 4-[(4-methylcyclohexyl)oxymethyl]benzoic acid is CC1CCC(OCc2ccc(C(=O)O)cc2)CC1.
What is the InChIKey of 4-[(4-methylcyclohexyl)oxymethyl]benzoic acid?
The InChIKey is HDYQLXKRKQGDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-11-2-8-14(9-3-11)18-10-12-4-6-13(7-5-12)15(16)17/h4-7,11,14H,2-3,8-10H2,1H3,(H,16,17).
What are the key properties of 4-[(4-methylcyclohexyl)oxymethyl]benzoic acid?
4-[(4-methylcyclohexyl)oxymethyl]benzoic acid has a molecular weight of 248.32 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylcyclohexyl)oxymethyl]benzoic acid is sourced from PubChem (CID 43185253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).