2-(4-propan-2-ylcyclohexyl)oxybenzoic acid

C16H22O3 — CID 70444480

IUPAC2-(4-propan-2-ylcyclohexyl)oxybenzoic acid
SMILESCC(C)C1CCC(Oc2ccccc2C(=O)O)CC1
InChIInChI=1S/C16H22O3/c1-11(2)12-7-9-13(10-8-12)19-15-6-4-3-5-14(15)16(17)18/h3-6,11-13H,7-10H2,1-2H3,(H,17,18)
InChIKeyNSMMIMGBLMGCBD-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.98
Rot. Bonds4

About 2-(4-propan-2-ylcyclohexyl)oxybenzoic acid

2-(4-propan-2-ylcyclohexyl)oxybenzoic acid (PubChem CID 70444480) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(4-propan-2-ylcyclohexyl)oxybenzoic acid.

Molecular Properties

Compound Name2-(4-propan-2-ylcyclohexyl)oxybenzoic acid
PubChem CID70444480
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name2-(4-propan-2-ylcyclohexyl)oxybenzoic acid
SMILESCC(C)C1CCC(Oc2ccccc2C(=O)O)CC1
InChIInChI=1S/C16H22O3/c1-11(2)12-7-9-13(10-8-12)19-15-6-4-3-5-14(15)16(17)18/h3-6,11-13H,7-10H2,1-2H3,(H,17,18)
InChIKeyNSMMIMGBLMGCBD-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-methylpiperidin-4-yl)oxybenzoic acid
CID 39203185
2-(3,4-dimethylcyclohexyl)oxybenzoic acid
CID 64745909
2-(1-methylazepan-4-yl)oxybenzoic acid
CID 117053972
1-[2-(4-aminocyclohexyl)oxyphenyl]ethanone
CID 117051794
carbonic acid;bis(2-propan-2-yloxybenzoic acid)
CID 66629297
2-(2-aminocyclopentyl)oxybenzoic acid
CID 117053950
methyl 2-(4-hydroxycyclohexyl)oxybenzoate
CID 117053868
5-(2-cyclopropyloxyphenyl)-1-methylpyrazole-4-carboxylic acid
CID 143452151
methyl 2-(thian-4-yloxy)benzoate
CID 117053874
2-methoxybenzoic acid;bis(propan-2-ol)
CID 130236181
1-[4-(2-cyclobutyloxybenzoyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 75372240
methyl 2-cyclohexyloxybenzoate
CID 11345342

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylcyclohexyl)oxybenzoic acid?
The IUPAC name of 2-(4-propan-2-ylcyclohexyl)oxybenzoic acid (CID 70444480) is 2-(4-propan-2-ylcyclohexyl)oxybenzoic acid.
What is the SMILES notation for 2-(4-propan-2-ylcyclohexyl)oxybenzoic acid?
The canonical SMILES for 2-(4-propan-2-ylcyclohexyl)oxybenzoic acid is CC(C)C1CCC(Oc2ccccc2C(=O)O)CC1.
What is the InChIKey of 2-(4-propan-2-ylcyclohexyl)oxybenzoic acid?
The InChIKey is NSMMIMGBLMGCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-11(2)12-7-9-13(10-8-12)19-15-6-4-3-5-14(15)16(17)18/h3-6,11-13H,7-10H2,1-2H3,(H,17,18).
What are the key properties of 2-(4-propan-2-ylcyclohexyl)oxybenzoic acid?
2-(4-propan-2-ylcyclohexyl)oxybenzoic acid has a molecular weight of 262.35 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylcyclohexyl)oxybenzoic acid is sourced from PubChem (CID 70444480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).