benzamide;3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid

C17H17NO5 — CID 174791707

IUPACbenzamide;3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
SMILESCOc1cc(C=CC(=O)O)ccc1O.NC(=O)c1ccccc1
InChIInChI=1S/C10H10O4.C7H7NO/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13;8-7(9)6-4-2-1-3-5-6/h2-6,11H,1H3,(H,12,13);1-5H,(H2,8,9)
InChIKeyFLJCZMRSBJNBND-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.28
Rot. Bonds4

About benzamide;3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid

benzamide;3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid (PubChem CID 174791707) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is benzamide;3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Namebenzamide;3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
PubChem CID174791707
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Namebenzamide;3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
SMILESCOc1cc(C=CC(=O)O)ccc1O.NC(=O)c1ccccc1
InChIInChI=1S/C10H10O4.C7H7NO/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13;8-7(9)6-4-2-1-3-5-6/h2-6,11H,1H3,(H,12,13);1-5H,(H2,8,9)
InChIKeyFLJCZMRSBJNBND-UHFFFAOYSA-N
XLogP2.28
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

azane;(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 25050146
trisodium;hydride;3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 174973622
(2E,4E)-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dienoic acid
CID 14053117
(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid;(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid;2-methoxy-4-[(E)-prop-1-enyl]phenol
CID 161331939
benzene;(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 174945129
(E)-5-(4-hydroxy-3-methoxyphenyl)-2,2-dimethyl-1-phenylpent-4-ene-1,3-dione
CID 68817069
(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid;1H-pyrazole
CID 175111397
(1E)-1-(4-hydroxy-3-methoxyphenyl)-7-phenylhepta-1,6-diene-3,5-dione
CID 141082674
(E)-3-(4-hydroxy-3-methoxyphenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 6266711
1-[3-(1-hydrazinyl-2-oxo-2-phenylethoxy)-4-hydroxyphenyl]-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 67054938
magnesium;3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid;3-(3-methoxy-4-oxidophenyl)prop-2-enoate
CID 154734960
magnesium;(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid;(E)-3-(3-methoxy-4-oxidophenyl)prop-2-enoate
CID 102269379

Frequently Asked Questions

What is the IUPAC name of benzamide;3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid?
The IUPAC name of benzamide;3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid (CID 174791707) is benzamide;3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for benzamide;3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid?
The canonical SMILES for benzamide;3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid is COc1cc(C=CC(=O)O)ccc1O.NC(=O)c1ccccc1.
What is the InChIKey of benzamide;3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid?
The InChIKey is FLJCZMRSBJNBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4.C7H7NO/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13;8-7(9)6-4-2-1-3-5-6/h2-6,11H,1H3,(H,12,13);1-5H,(H2,8,9).
What are the key properties of benzamide;3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid?
benzamide;3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid has a molecular weight of 315.33 g/mol, XLogP of 2.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzamide;3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 174791707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).