CID 132548194

C19H26NO5 — CID 132548194

IUPAC—
SMILESCOc1cc(/C=C/C(=O)OC2CC(C)(C)N([O])C(C)(C)C2)ccc1O
InChIInChI=1S/C19H26NO5/c1-18(2)11-14(12-19(3,4)20(18)23)25-17(22)9-7-13-6-8-15(21)16(10-13)24-5/h6-10,14,21H,11-12H2,1-5H3/b9-7+
InChIKeyPQXAOAHOFBOGGK-VQHVLOKHSA-N
MW348.42 g/mol
LogP3.32
Rot. Bonds4

About CID 132548194

CID 132548194 (PubChem CID 132548194) has the molecular formula C19H26NO5 and a molecular weight of 348.42 g/mol.

Molecular Properties

Compound NameCID 132548194
PubChem CID132548194
Molecular FormulaC19H26NO5
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC Name—
SMILESCOc1cc(/C=C/C(=O)OC2CC(C)(C)N([O])C(C)(C)C2)ccc1O
InChIInChI=1S/C19H26NO5/c1-18(2)11-14(12-19(3,4)20(18)23)25-17(22)9-7-13-6-8-15(21)16(10-13)24-5/h6-10,14,21H,11-12H2,1-5H3/b9-7+
InChIKeyPQXAOAHOFBOGGK-VQHVLOKHSA-N
XLogP3.32
TPSA78.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

CID 122209642
CID 122209642
[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-eneperoxoate
CID 155779332
(1S,3R,4R,5R)-1,3-dihydroxy-4,5-bis[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy]cyclohexane-1-carboxylic acid
CID 75368787
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 5315483
[(1R,4R)-1,4-dihydroxy-7-oxo-6-oxabicyclo[3.2.1]octan-3-yl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 123908502
(1S,3R,4R,5R)-4-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,3-dihydroxy-5-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]cyclohexane-1-carboxylic acid
CID 162927383
methyl (1R,3S,4S,5S)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,5-dihydroxy-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylate
CID 22297569
phosphanyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate;tungsten
CID 58284204
[(1R)-2-oxocyclohexyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 7766350
24-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxytetracosyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 11967021
ethyl (1S,3R,4S,5R)-1,3,4-trihydroxy-5-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]cyclohexane-1-carboxylate
CID 162973012
(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 969516

Frequently Asked Questions

What is the IUPAC name of CID 132548194?
The IUPAC name of CID 132548194 (CID 132548194) is not available.
What is the SMILES notation for CID 132548194?
The canonical SMILES for CID 132548194 is COc1cc(/C=C/C(=O)OC2CC(C)(C)N([O])C(C)(C)C2)ccc1O.
What is the InChIKey of CID 132548194?
The InChIKey is PQXAOAHOFBOGGK-VQHVLOKHSA-N. The full InChI is InChI=1S/C19H26NO5/c1-18(2)11-14(12-19(3,4)20(18)23)25-17(22)9-7-13-6-8-15(21)16(10-13)24-5/h6-10,14,21H,11-12H2,1-5H3/b9-7+.
What are the key properties of CID 132548194?
CID 132548194 has a molecular weight of 348.42 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 132548194 is sourced from PubChem (CID 132548194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).