2,3-dimethoxy-4-methylbenzoic acid;morpholine

C14H21NO5 — CID 174644053

IUPAC2,3-dimethoxy-4-methylbenzoic acid;morpholine
SMILESC1COCCN1.COc1c(C)ccc(C(=O)O)c1OC
InChIInChI=1S/C10H12O4.C4H9NO/c1-6-4-5-7(10(11)12)9(14-3)8(6)13-2;1-3-6-4-2-5-1/h4-5H,1-3H3,(H,11,12);5H,1-4H2
InChIKeyPCKDMJZAWLTIJN-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.32
Rot. Bonds3

About 2,3-dimethoxy-4-methylbenzoic acid;morpholine

2,3-dimethoxy-4-methylbenzoic acid;morpholine (PubChem CID 174644053) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is 2,3-dimethoxy-4-methylbenzoic acid;morpholine.

Molecular Properties

Compound Name2,3-dimethoxy-4-methylbenzoic acid;morpholine
PubChem CID174644053
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name2,3-dimethoxy-4-methylbenzoic acid;morpholine
SMILESC1COCCN1.COc1c(C)ccc(C(=O)O)c1OC
InChIInChI=1S/C10H12O4.C4H9NO/c1-6-4-5-7(10(11)12)9(14-3)8(6)13-2;1-3-6-4-2-5-1/h4-5H,1-3H3,(H,11,12);5H,1-4H2
InChIKeyPCKDMJZAWLTIJN-UHFFFAOYSA-N
XLogP1.32
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

carbonic acid;2-methoxy-3-methylbenzoic acid
CID 69114521
CID 175079027
CID 175079027
2-cyano-3-methoxy-4-methylbenzoic acid
CID 67048241
2-methoxy-3-morpholin-3-ylbenzoic acid
CID 175436476
5-methoxy-1,2,3,4-tetrahydroquinoline-6-carboxylic acid
CID 84675022
2-hydroxy-3-methoxyterephthalic acid
CID 150906363
3,4-dibromo-2-methoxybenzoic acid
CID 171002402
2-amino-3-methoxyterephthalic acid
CID 132516468
2-chloro-3-methoxyterephthalic acid
CID 126601706
4-(hydroxymethyl)-2,3-dimethoxybenzoic acid
CID 90442234
4-methoxy-2H-indazole-5-carboxylic acid
CID 135829581
3-amino-1-(2,3-dimethoxy-4-methylphenyl)propan-1-one
CID 117319773

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-4-methylbenzoic acid;morpholine?
The IUPAC name of 2,3-dimethoxy-4-methylbenzoic acid;morpholine (CID 174644053) is 2,3-dimethoxy-4-methylbenzoic acid;morpholine.
What is the SMILES notation for 2,3-dimethoxy-4-methylbenzoic acid;morpholine?
The canonical SMILES for 2,3-dimethoxy-4-methylbenzoic acid;morpholine is C1COCCN1.COc1c(C)ccc(C(=O)O)c1OC.
What is the InChIKey of 2,3-dimethoxy-4-methylbenzoic acid;morpholine?
The InChIKey is PCKDMJZAWLTIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4.C4H9NO/c1-6-4-5-7(10(11)12)9(14-3)8(6)13-2;1-3-6-4-2-5-1/h4-5H,1-3H3,(H,11,12);5H,1-4H2.
What are the key properties of 2,3-dimethoxy-4-methylbenzoic acid;morpholine?
2,3-dimethoxy-4-methylbenzoic acid;morpholine has a molecular weight of 283.32 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-4-methylbenzoic acid;morpholine is sourced from PubChem (CID 174644053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).