2-methylpropyl 2-chloro-4-hydroxybenzoate

C11H13ClO3 — CID 154400611

IUPAC2-methylpropyl 2-chloro-4-hydroxybenzoate
SMILESCC(C)COC(=O)c1ccc(O)cc1Cl
InChIInChI=1S/C11H13ClO3/c1-7(2)6-15-11(14)9-4-3-8(13)5-10(9)12/h3-5,7,13H,6H2,1-2H3
InChIKeySLIJCFDNANJLIE-UHFFFAOYSA-N
MW228.67 g/mol
LogP2.86
Rot. Bonds3

About 2-methylpropyl 2-chloro-4-hydroxybenzoate

2-methylpropyl 2-chloro-4-hydroxybenzoate (PubChem CID 154400611) has the molecular formula C11H13ClO3 and a molecular weight of 228.67 g/mol. Its IUPAC name is 2-methylpropyl 2-chloro-4-hydroxybenzoate.

Molecular Properties

Compound Name2-methylpropyl 2-chloro-4-hydroxybenzoate
PubChem CID154400611
Molecular FormulaC11H13ClO3
Molecular Weight228.67 g/mol
Exact Mass228.06
IUPAC Name2-methylpropyl 2-chloro-4-hydroxybenzoate
SMILESCC(C)COC(=O)c1ccc(O)cc1Cl
InChIInChI=1S/C11H13ClO3/c1-7(2)6-15-11(14)9-4-3-8(13)5-10(9)12/h3-5,7,13H,6H2,1-2H3
InChIKeySLIJCFDNANJLIE-UHFFFAOYSA-N
XLogP2.86
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.67
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

pentan-2-yl 2-chloro-4-hydroxybenzoate
CID 70617362
1-(2-chloro-4-hydroxyphenyl)-2-methylpropan-1-one
CID 59682183
[4-(2-methylpropoxycarbonyl)phenyl] 2,4-dichlorobenzoate
CID 17149557
2-methylpropyl 4-amino-3,5-dichlorobenzoate
CID 10967287
1-(2-chloro-4-hydroxyphenyl)-2-methylbutan-1-one
CID 139652422
tetrakis(2-methylpropyl) perylene-3,4,9,10-tetracarboxylate
CID 123503031
2-methylpropyl 3,4-dichlorobenzoate
CID 82186391
2-O-ethyl 1-O-(2-methylpropyl) 4-chloro-5-methylbenzene-1,2-dicarboxylate
CID 23502163
2-O-(2-chloropropyl) 1-O-(2-methylpropyl) benzene-1,2-dicarboxylate
CID 91720151
4-hydroxy-2-(2-methylpropyl)benzoic acid;2-methylpropyl 4-hydroxybenzoate
CID 159650836
bis(2-methylpropyl) 4,10-dihydroxyperylene-3,9-dicarboxylate
CID 165391085
bis(2-methylpropyl) 4,5-dibromobenzene-1,2-dicarboxylate
CID 23502142

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-chloro-4-hydroxybenzoate?
The IUPAC name of 2-methylpropyl 2-chloro-4-hydroxybenzoate (CID 154400611) is 2-methylpropyl 2-chloro-4-hydroxybenzoate.
What is the SMILES notation for 2-methylpropyl 2-chloro-4-hydroxybenzoate?
The canonical SMILES for 2-methylpropyl 2-chloro-4-hydroxybenzoate is CC(C)COC(=O)c1ccc(O)cc1Cl.
What is the InChIKey of 2-methylpropyl 2-chloro-4-hydroxybenzoate?
The InChIKey is SLIJCFDNANJLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO3/c1-7(2)6-15-11(14)9-4-3-8(13)5-10(9)12/h3-5,7,13H,6H2,1-2H3.
What are the key properties of 2-methylpropyl 2-chloro-4-hydroxybenzoate?
2-methylpropyl 2-chloro-4-hydroxybenzoate has a molecular weight of 228.67 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-chloro-4-hydroxybenzoate is sourced from PubChem (CID 154400611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).