2-hydroxypentan-3-yl 2-prop-2-enoyloxyprop-2-enoate;phthalic acid

C19H22O9 — CID 174433820

IUPAC2-hydroxypentan-3-yl 2-prop-2-enoyloxyprop-2-enoate;phthalic acid
SMILESC=CC(=O)OC(=C)C(=O)OC(CC)C(C)O.O=C(O)c1ccccc1C(=O)O
InChIInChI=1S/C11H16O5.C8H6O4/c1-5-9(7(3)12)16-11(14)8(4)15-10(13)6-2;9-7(10)5-3-1-2-4-6(5)8(11)12/h6-7,9,12H,2,4-5H2,1,3H3;1-4H,(H,9,10)(H,11,12)
InChIKeyUPLVTTUXNAMIGI-UHFFFAOYSA-N
MW394.38 g/mol
LogP2.01
Rot. Bonds8

About 2-hydroxypentan-3-yl 2-prop-2-enoyloxyprop-2-enoate;phthalic acid

2-hydroxypentan-3-yl 2-prop-2-enoyloxyprop-2-enoate;phthalic acid (PubChem CID 174433820) has the molecular formula C19H22O9 and a molecular weight of 394.38 g/mol. Its IUPAC name is 2-hydroxypentan-3-yl 2-prop-2-enoyloxyprop-2-enoate;phthalic acid.

Molecular Properties

Compound Name2-hydroxypentan-3-yl 2-prop-2-enoyloxyprop-2-enoate;phthalic acid
PubChem CID174433820
Molecular FormulaC19H22O9
Molecular Weight394.38 g/mol
Exact Mass394.13
IUPAC Name2-hydroxypentan-3-yl 2-prop-2-enoyloxyprop-2-enoate;phthalic acid
SMILESC=CC(=O)OC(=C)C(=O)OC(CC)C(C)O.O=C(O)c1ccccc1C(=O)O
InChIInChI=1S/C11H16O5.C8H6O4/c1-5-9(7(3)12)16-11(14)8(4)15-10(13)6-2;9-7(10)5-3-1-2-4-6(5)8(11)12/h6-7,9,12H,2,4-5H2,1,3H3;1-4H,(H,9,10)(H,11,12)
InChIKeyUPLVTTUXNAMIGI-UHFFFAOYSA-N
XLogP2.01
TPSA147.43 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-hydroxypentan-3-yl 2-prop-2-enoyloxyprop-2-enoate;phthalic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-hydroxy-1-prop-2-enoyloxybutan-2-yl)oxycarbonylbenzoic acid
CID 68536363
2-(2-hydroxy-3-prop-2-enoyloxypentan-3-yl)oxycarbonylbenzoic acid
CID 174391621
(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate;phthalic acid
CID 174553100
ethyl prop-2-enoate;2-(2-hydroxypropoxycarbonyl)benzoic acid
CID 174969580
2-(2-prop-2-enoyloxypropoxycarbonyl)benzoic acid
CID 21421368
phthalic acid;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162086806
methane;2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]benzoic acid;2-(2-methylprop-2-enoyloxy)ethyl 2-(3-hydroxybutanoyl)benzoate;2-(2-prop-2-enoyloxyacetyl)benzoic acid;2-prop-2-enoyloxyethyl 2-(3-hydroxybutanoyl)benzoate
CID 160829372
phthalic acid;prop-2-eneperoxoic acid
CID 159200094
1-hydroxypropyl propanoate;phthalic acid
CID 174837889
2-(4-hydroxy-2-prop-2-enoyloxypentoxy)carbonylbenzoic acid
CID 71391370
2-(1-prop-2-enoyloxyethoxy)benzoic acid
CID 18934237
2-(3-hydroxy-6-prop-2-enoyloxyhexan-2-yl)oxycarbonylbenzoic acid
CID 67546504

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypentan-3-yl 2-prop-2-enoyloxyprop-2-enoate;phthalic acid?
The IUPAC name of 2-hydroxypentan-3-yl 2-prop-2-enoyloxyprop-2-enoate;phthalic acid (CID 174433820) is 2-hydroxypentan-3-yl 2-prop-2-enoyloxyprop-2-enoate;phthalic acid.
What is the SMILES notation for 2-hydroxypentan-3-yl 2-prop-2-enoyloxyprop-2-enoate;phthalic acid?
The canonical SMILES for 2-hydroxypentan-3-yl 2-prop-2-enoyloxyprop-2-enoate;phthalic acid is C=CC(=O)OC(=C)C(=O)OC(CC)C(C)O.O=C(O)c1ccccc1C(=O)O.
What is the InChIKey of 2-hydroxypentan-3-yl 2-prop-2-enoyloxyprop-2-enoate;phthalic acid?
The InChIKey is UPLVTTUXNAMIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O5.C8H6O4/c1-5-9(7(3)12)16-11(14)8(4)15-10(13)6-2;9-7(10)5-3-1-2-4-6(5)8(11)12/h6-7,9,12H,2,4-5H2,1,3H3;1-4H,(H,9,10)(H,11,12).
What are the key properties of 2-hydroxypentan-3-yl 2-prop-2-enoyloxyprop-2-enoate;phthalic acid?
2-hydroxypentan-3-yl 2-prop-2-enoyloxyprop-2-enoate;phthalic acid has a molecular weight of 394.38 g/mol, XLogP of 2.01, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypentan-3-yl 2-prop-2-enoyloxyprop-2-enoate;phthalic acid is sourced from PubChem (CID 174433820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).