2-[3-methyl-4-(2-morpholin-4-ylethoxy)phenyl]benzoic acid

C20H23NO4 — CID 166265933

IUPAC2-[3-methyl-4-(2-morpholin-4-ylethoxy)phenyl]benzoic acid
SMILESCc1cc(-c2ccccc2C(=O)O)ccc1OCCN1CCOCC1
InChIInChI=1S/C20H23NO4/c1-15-14-16(17-4-2-3-5-18(17)20(22)23)6-7-19(15)25-13-10-21-8-11-24-12-9-21/h2-7,14H,8-13H2,1H3,(H,22,23)
InChIKeySCPOYCGQZMTSQO-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.07
Rot. Bonds6

About 2-[3-methyl-4-(2-morpholin-4-ylethoxy)phenyl]benzoic acid

2-[3-methyl-4-(2-morpholin-4-ylethoxy)phenyl]benzoic acid (PubChem CID 166265933) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-[3-methyl-4-(2-morpholin-4-ylethoxy)phenyl]benzoic acid.

Molecular Properties

Compound Name2-[3-methyl-4-(2-morpholin-4-ylethoxy)phenyl]benzoic acid
PubChem CID166265933
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name2-[3-methyl-4-(2-morpholin-4-ylethoxy)phenyl]benzoic acid
SMILESCc1cc(-c2ccccc2C(=O)O)ccc1OCCN1CCOCC1
InChIInChI=1S/C20H23NO4/c1-15-14-16(17-4-2-3-5-18(17)20(22)23)6-7-19(15)25-13-10-21-8-11-24-12-9-21/h2-7,14H,8-13H2,1H3,(H,22,23)
InChIKeySCPOYCGQZMTSQO-UHFFFAOYSA-N
XLogP3.07
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1,4-oxazepan-4-yl)ethoxy]benzoic acid
CID 55134744
ethane;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 144752549
2-methyl-5-(2-morpholin-4-ylethoxy)benzoic acid
CID 82165954
2-methyl-1-[2-(2-morpholin-4-ylethoxy)phenyl]propan-1-one
CID 118041363
1-[4-methyl-3-(2-morpholin-4-ylethoxy)phenyl]-3-phenylurea
CID 90894366
2-[3-(morpholin-4-ylmethyl)phenyl]benzoic acid
CID 39226434
3-[2-[3-[2-(3-carboxy-2-hydroxyphenoxy)ethyl]-1,6-dioxa-3,9-diazacycloundec-9-yl]ethoxy]-2-hydroxybenzoic acid
CID 101400473
2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-1H-benzimidazole-4-carboxylic acid
CID 58279088
4-[2-(5-phenyl-2-propan-2-ylphenoxy)ethyl]morpholine
CID 146386321
4-[6-(2-methylphenoxy)hexyl]morpholine
CID 5114307
4-[2-[4-(3-chloroprop-1-ynyl)-2-methylphenoxy]ethyl]morpholine
CID 63214676
1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]propane-1,2-dione
CID 58262575

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-4-(2-morpholin-4-ylethoxy)phenyl]benzoic acid?
The IUPAC name of 2-[3-methyl-4-(2-morpholin-4-ylethoxy)phenyl]benzoic acid (CID 166265933) is 2-[3-methyl-4-(2-morpholin-4-ylethoxy)phenyl]benzoic acid.
What is the SMILES notation for 2-[3-methyl-4-(2-morpholin-4-ylethoxy)phenyl]benzoic acid?
The canonical SMILES for 2-[3-methyl-4-(2-morpholin-4-ylethoxy)phenyl]benzoic acid is Cc1cc(-c2ccccc2C(=O)O)ccc1OCCN1CCOCC1.
What is the InChIKey of 2-[3-methyl-4-(2-morpholin-4-ylethoxy)phenyl]benzoic acid?
The InChIKey is SCPOYCGQZMTSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-15-14-16(17-4-2-3-5-18(17)20(22)23)6-7-19(15)25-13-10-21-8-11-24-12-9-21/h2-7,14H,8-13H2,1H3,(H,22,23).
What are the key properties of 2-[3-methyl-4-(2-morpholin-4-ylethoxy)phenyl]benzoic acid?
2-[3-methyl-4-(2-morpholin-4-ylethoxy)phenyl]benzoic acid has a molecular weight of 341.41 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-4-(2-morpholin-4-ylethoxy)phenyl]benzoic acid is sourced from PubChem (CID 166265933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).