(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate;phthalic acid

C18H20O9 — CID 174553100

IUPAC(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate;phthalic acid
SMILESC=CC(=O)OCC(O)COC(=O)C(=C)C.O=C(O)c1ccccc1C(=O)O
InChIInChI=1S/C10H14O5.C8H6O4/c1-4-9(12)14-5-8(11)6-15-10(13)7(2)3;9-7(10)5-3-1-2-4-6(5)8(11)12/h4,8,11H,1-2,5-6H2,3H3;1-4H,(H,9,10)(H,11,12)
InChIKeyHTICHMBIWBVTGB-UHFFFAOYSA-N
MW380.35 g/mol
LogP1.28
Rot. Bonds8

About (2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate;phthalic acid

(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate;phthalic acid (PubChem CID 174553100) has the molecular formula C18H20O9 and a molecular weight of 380.35 g/mol. Its IUPAC name is (2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate;phthalic acid.

Molecular Properties

Compound Name(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate;phthalic acid
PubChem CID174553100
Molecular FormulaC18H20O9
Molecular Weight380.35 g/mol
Exact Mass380.11
IUPAC Name(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate;phthalic acid
SMILESC=CC(=O)OCC(O)COC(=O)C(=C)C.O=C(O)c1ccccc1C(=O)O
InChIInChI=1S/C10H14O5.C8H6O4/c1-4-9(12)14-5-8(11)6-15-10(13)7(2)3;9-7(10)5-3-1-2-4-6(5)8(11)12/h4,8,11H,1-2,5-6H2,3H3;1-4H,(H,9,10)(H,11,12)
InChIKeyHTICHMBIWBVTGB-UHFFFAOYSA-N
XLogP1.28
TPSA147.43 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.35
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate;methane;prop-2-enamide
CID 160685557
4-hydroxybutyl 2-methylprop-2-enoate;(2-hydroxy-3-phenoxypropyl) prop-2-enoate
CID 160827387
ethanol;2-hydroxyethyl 2-methylprop-2-enoate;(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate
CID 174939081
ethyl 2-methylprop-2-enoate;phthalic acid
CID 66831473
phthalic acid;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162086806
methyl-bis[2-(2-methylprop-2-enoyloxy)ethyl]azanium;2-(4-prop-2-enoyloxybutoxycarbonyl)benzoic acid
CID 162264942
prop-2-enyl 2-methylprop-2-enoate;prop-2-enyl prop-2-enoate;styrene
CID 68553077
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
ethyl prop-2-enoate;2-(2-hydroxypropoxycarbonyl)benzoic acid
CID 174969580
3-hydroxypropyl prop-2-enoate;2-methylpropyl 2-methylprop-2-enoate;styrene
CID 67929040
(3-amino-2-hydroxypropyl) prop-2-enoate;2-methylprop-2-enoic acid
CID 174950031
[3-[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-[2,6-dibromo-4-[2-[3,5-dibromo-4-(2-hydroxy-3-prop-2-enoyloxypropoxy)phenyl]propan-2-yl]phenoxy]-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl] 2-methylprop-2-enoate
CID 87751077

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate;phthalic acid?
The IUPAC name of (2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate;phthalic acid (CID 174553100) is (2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate;phthalic acid.
What is the SMILES notation for (2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate;phthalic acid?
The canonical SMILES for (2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate;phthalic acid is C=CC(=O)OCC(O)COC(=O)C(=C)C.O=C(O)c1ccccc1C(=O)O.
What is the InChIKey of (2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate;phthalic acid?
The InChIKey is HTICHMBIWBVTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5.C8H6O4/c1-4-9(12)14-5-8(11)6-15-10(13)7(2)3;9-7(10)5-3-1-2-4-6(5)8(11)12/h4,8,11H,1-2,5-6H2,3H3;1-4H,(H,9,10)(H,11,12).
What are the key properties of (2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate;phthalic acid?
(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate;phthalic acid has a molecular weight of 380.35 g/mol, XLogP of 1.28, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate;phthalic acid is sourced from PubChem (CID 174553100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).