propyl 5-chloro-2-hydroxybenzoate

C10H11ClO3 — CID 43389601

IUPACpropyl 5-chloro-2-hydroxybenzoate
SMILESCCCOC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C10H11ClO3/c1-2-5-14-10(13)8-6-7(11)3-4-9(8)12/h3-4,6,12H,2,5H2,1H3
InChIKeyDZLOEMBRVZXYFS-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.61
Rot. Bonds3

About propyl 5-chloro-2-hydroxybenzoate

propyl 5-chloro-2-hydroxybenzoate (PubChem CID 43389601) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is propyl 5-chloro-2-hydroxybenzoate.

Molecular Properties

Compound Namepropyl 5-chloro-2-hydroxybenzoate
PubChem CID43389601
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Namepropyl 5-chloro-2-hydroxybenzoate
SMILESCCCOC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C10H11ClO3/c1-2-5-14-10(13)8-6-7(11)3-4-9(8)12/h3-4,6,12H,2,5H2,1H3
InChIKeyDZLOEMBRVZXYFS-UHFFFAOYSA-N
XLogP2.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propyl 2,5-dichlorobenzoate
CID 43389536
propyl 2-amino-4-chlorobenzoate
CID 28690133
propyl 2-bromo-4-chlorobenzoate
CID 103766992
2-(4-methoxyphenoxy)ethyl 5-chloro-2-hydroxybenzoate
CID 7787466
propyl 2,3,5-trichlorobenzoate
CID 22448170
hexadecyl 2,5-dichlorobenzoate
CID 100931505
heptyl 5-chloro-2-fluorobenzoate
CID 63840188
(4-bromophenyl)methyl 5-chloro-2-hydroxybenzoate
CID 883580
hexyl 2-amino-5-chlorobenzoate
CID 63447328
diethyl 4-chlorobenzene-1,2-dicarboxylate
CID 14910056
propyl 2,5-difluorobenzoate
CID 43416946
pentyl 5-amino-2-hydroxybenzoate
CID 61302134

Frequently Asked Questions

What is the IUPAC name of propyl 5-chloro-2-hydroxybenzoate?
The IUPAC name of propyl 5-chloro-2-hydroxybenzoate (CID 43389601) is propyl 5-chloro-2-hydroxybenzoate.
What is the SMILES notation for propyl 5-chloro-2-hydroxybenzoate?
The canonical SMILES for propyl 5-chloro-2-hydroxybenzoate is CCCOC(=O)c1cc(Cl)ccc1O.
What is the InChIKey of propyl 5-chloro-2-hydroxybenzoate?
The InChIKey is DZLOEMBRVZXYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-2-5-14-10(13)8-6-7(11)3-4-9(8)12/h3-4,6,12H,2,5H2,1H3.
What are the key properties of propyl 5-chloro-2-hydroxybenzoate?
propyl 5-chloro-2-hydroxybenzoate has a molecular weight of 214.65 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 5-chloro-2-hydroxybenzoate is sourced from PubChem (CID 43389601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).