2-chloro-5-methoxy-4-propoxybenzoic acid

C11H13ClO4 — CID 66528858

IUPAC2-chloro-5-methoxy-4-propoxybenzoic acid
SMILESCCCOc1cc(Cl)c(C(=O)O)cc1OC
InChIInChI=1S/C11H13ClO4/c1-3-4-16-10-6-8(12)7(11(13)14)5-9(10)15-2/h5-6H,3-4H2,1-2H3,(H,13,14)
InChIKeyGCWJUHQVWDLPIL-UHFFFAOYSA-N
MW244.67 g/mol
LogP2.84
Rot. Bonds5

About 2-chloro-5-methoxy-4-propoxybenzoic acid

2-chloro-5-methoxy-4-propoxybenzoic acid (PubChem CID 66528858) has the molecular formula C11H13ClO4 and a molecular weight of 244.67 g/mol. Its IUPAC name is 2-chloro-5-methoxy-4-propoxybenzoic acid.

Molecular Properties

Compound Name2-chloro-5-methoxy-4-propoxybenzoic acid
PubChem CID66528858
Molecular FormulaC11H13ClO4
Molecular Weight244.67 g/mol
Exact Mass244.05
IUPAC Name2-chloro-5-methoxy-4-propoxybenzoic acid
SMILESCCCOc1cc(Cl)c(C(=O)O)cc1OC
InChIInChI=1S/C11H13ClO4/c1-3-4-16-10-6-8(12)7(11(13)14)5-9(10)15-2/h5-6H,3-4H2,1-2H3,(H,13,14)
InChIKeyGCWJUHQVWDLPIL-UHFFFAOYSA-N
XLogP2.84
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.67
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-methoxy-5-pentoxybenzoic acid
CID 43380063
4-butoxy-2-iodo-5-methoxybenzoic acid
CID 70657830
methyl 5-amino-2-chloro-4-propoxybenzoate
CID 112757042
2-methoxy-5-propoxybenzoic acid
CID 82265622
5-[2-[4-carboxy-2-methoxy-5-(methylamino)phenoxy]ethyl]-4-chloro-2-(methylamino)benzoic acid
CID 162752140
3-(2-chloro-4,5-dipropoxyphenyl)propanoic acid
CID 82268203
(E)-4-(4-chloro-2,5-dipropoxyphenyl)-4-oxobut-2-enoic acid
CID 82551618
4-[5-(2-butoxy-4-carboxy-5-nitrophenoxy)pentoxy]-5-methoxy-2-nitrobenzoic acid
CID 90433166
5-acetamido-2-chloro-4-methoxybenzoic acid
CID 112757038
N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]butan-2-amine
CID 66530974
2-amino-5-[3-(dimethylamino)-3-oxopropoxy]-4-methoxybenzoic acid
CID 60961608
2,5-dipentoxyterephthalic acid;dihydrochloride
CID 70289838

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methoxy-4-propoxybenzoic acid?
The IUPAC name of 2-chloro-5-methoxy-4-propoxybenzoic acid (CID 66528858) is 2-chloro-5-methoxy-4-propoxybenzoic acid.
What is the SMILES notation for 2-chloro-5-methoxy-4-propoxybenzoic acid?
The canonical SMILES for 2-chloro-5-methoxy-4-propoxybenzoic acid is CCCOc1cc(Cl)c(C(=O)O)cc1OC.
What is the InChIKey of 2-chloro-5-methoxy-4-propoxybenzoic acid?
The InChIKey is GCWJUHQVWDLPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO4/c1-3-4-16-10-6-8(12)7(11(13)14)5-9(10)15-2/h5-6H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 2-chloro-5-methoxy-4-propoxybenzoic acid?
2-chloro-5-methoxy-4-propoxybenzoic acid has a molecular weight of 244.67 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methoxy-4-propoxybenzoic acid is sourced from PubChem (CID 66528858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).