2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]carbamoyl]benzoic acid

C18H19NO6 — CID 2812098

IUPAC2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]carbamoyl]benzoic acid
SMILESCOc1ccc(OCC(O)CNC(=O)c2ccccc2C(=O)O)cc1
InChIInChI=1S/C18H19NO6/c1-24-13-6-8-14(9-7-13)25-11-12(20)10-19-17(21)15-4-2-3-5-16(15)18(22)23/h2-9,12,20H,10-11H2,1H3,(H,19,21)(H,22,23)
InChIKeyUYXHTKMFMYHLCT-UHFFFAOYSA-N
MW345.35 g/mol
LogP1.56
Rot. Bonds8

About 2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]carbamoyl]benzoic acid

2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]carbamoyl]benzoic acid (PubChem CID 2812098) has the molecular formula C18H19NO6 and a molecular weight of 345.35 g/mol. Its IUPAC name is 2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]carbamoyl]benzoic acid
PubChem CID2812098
Molecular FormulaC18H19NO6
Molecular Weight345.35 g/mol
Exact Mass345.12
IUPAC Name2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]carbamoyl]benzoic acid
SMILESCOc1ccc(OCC(O)CNC(=O)c2ccccc2C(=O)O)cc1
InChIInChI=1S/C18H19NO6/c1-24-13-6-8-14(9-7-13)25-11-12(20)10-19-17(21)15-4-2-3-5-16(15)18(22)23/h2-9,12,20H,10-11H2,1H3,(H,19,21)(H,22,23)
InChIKeyUYXHTKMFMYHLCT-UHFFFAOYSA-N
XLogP1.56
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]carbamoyl]benzoate
CID 6945837
2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]carbamoyl]benzoic acid
CID 2915954
N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-4-methoxybenzamide
CID 7276796
N-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-methoxybenzamide
CID 800926
2-[(2-hydroxy-4-methylpentyl)carbamoyl]benzoic acid
CID 107151224
1-anilino-3-(4-methoxyphenoxy)propan-2-ol
CID 45153561
2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]pyridine-3-carboxamide
CID 6975832
N-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 6930395
2-hydroxy-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]benzamide
CID 60583885
N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-nitrobenzamide
CID 889930
N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide
CID 6930429
(2S)-1-(4-methoxyphenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 7025078

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]carbamoyl]benzoic acid?
The IUPAC name of 2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]carbamoyl]benzoic acid (CID 2812098) is 2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]carbamoyl]benzoic acid is COc1ccc(OCC(O)CNC(=O)c2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]carbamoyl]benzoic acid?
The InChIKey is UYXHTKMFMYHLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO6/c1-24-13-6-8-14(9-7-13)25-11-12(20)10-19-17(21)15-4-2-3-5-16(15)18(22)23/h2-9,12,20H,10-11H2,1H3,(H,19,21)(H,22,23).
What are the key properties of 2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]carbamoyl]benzoic acid?
2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]carbamoyl]benzoic acid has a molecular weight of 345.35 g/mol, XLogP of 1.56, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]carbamoyl]benzoic acid is sourced from PubChem (CID 2812098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).