[2-hydroxy-3-[3-(4-propan-2-yloxyphenyl)propanoyloxy]propyl] 2-methylprop-2-enoate

C19H26O6 — CID 118029470

IUPAC[2-hydroxy-3-[3-(4-propan-2-yloxyphenyl)propanoyloxy]propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)COC(=O)CCc1ccc(OC(C)C)cc1
InChIInChI=1S/C19H26O6/c1-13(2)19(22)24-12-16(20)11-23-18(21)10-7-15-5-8-17(9-6-15)25-14(3)4/h5-6,8-9,14,16,20H,1,7,10-12H2,2-4H3
InChIKeyPIQCNJXLEUGMGH-UHFFFAOYSA-N
MW350.41 g/mol
LogP2.43
Rot. Bonds10

About [2-hydroxy-3-[3-(4-propan-2-yloxyphenyl)propanoyloxy]propyl] 2-methylprop-2-enoate

[2-hydroxy-3-[3-(4-propan-2-yloxyphenyl)propanoyloxy]propyl] 2-methylprop-2-enoate (PubChem CID 118029470) has the molecular formula C19H26O6 and a molecular weight of 350.41 g/mol. Its IUPAC name is [2-hydroxy-3-[3-(4-propan-2-yloxyphenyl)propanoyloxy]propyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-hydroxy-3-[3-(4-propan-2-yloxyphenyl)propanoyloxy]propyl] 2-methylprop-2-enoate
PubChem CID118029470
Molecular FormulaC19H26O6
Molecular Weight350.41 g/mol
Exact Mass350.17
IUPAC Name[2-hydroxy-3-[3-(4-propan-2-yloxyphenyl)propanoyloxy]propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)COC(=O)CCc1ccc(OC(C)C)cc1
InChIInChI=1S/C19H26O6/c1-13(2)19(22)24-12-16(20)11-23-18(21)10-7-15-5-8-17(9-6-15)25-14(3)4/h5-6,8-9,14,16,20H,1,7,10-12H2,2-4H3
InChIKeyPIQCNJXLEUGMGH-UHFFFAOYSA-N
XLogP2.43
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-hydroxy-3-[3-[4-(methylamino)phenyl]propanoyloxy]propyl] 2-methylprop-2-enoate
CID 118031046
4-(4-propan-2-yloxyphenyl)butan-2-one
CID 24710648
[3-(4-hexylphenoxy)-2-hydroxypropyl] 2-methylprop-2-enoate
CID 139601199
4-O-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 1-O-methyl butanedioate
CID 89001607
(2-hydroxy-3-propanoyloxypropyl) 2-methylprop-2-enoate
CID 20746567
1-O-[2-hydroxy-4-(2-methylprop-2-enoyloxy)butyl] 4-O-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] butanedioate
CID 170691807
bis[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 4,6-diacetylbenzene-1,3-dicarboxylate
CID 134575101
N-carbamoyl-3-(4-propan-2-yloxyphenyl)propanamide
CID 173014561
[2-hydroxy-3-[3-(2-phenylpropylsulfanyl)propanoyloxy]propyl] 2-methylprop-2-enoate
CID 58455685
[3-[4-(dibromomethyl)phenoxy]-2-hydroxypropyl] 2-methylprop-2-enoate
CID 70468740
3-(4-propan-2-yloxyphenyl)propanethioamide
CID 83932816
bis[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] (E)-hex-3-enedioate
CID 20697152

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-[3-(4-propan-2-yloxyphenyl)propanoyloxy]propyl] 2-methylprop-2-enoate?
The IUPAC name of [2-hydroxy-3-[3-(4-propan-2-yloxyphenyl)propanoyloxy]propyl] 2-methylprop-2-enoate (CID 118029470) is [2-hydroxy-3-[3-(4-propan-2-yloxyphenyl)propanoyloxy]propyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-hydroxy-3-[3-(4-propan-2-yloxyphenyl)propanoyloxy]propyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-hydroxy-3-[3-(4-propan-2-yloxyphenyl)propanoyloxy]propyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(O)COC(=O)CCc1ccc(OC(C)C)cc1.
What is the InChIKey of [2-hydroxy-3-[3-(4-propan-2-yloxyphenyl)propanoyloxy]propyl] 2-methylprop-2-enoate?
The InChIKey is PIQCNJXLEUGMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O6/c1-13(2)19(22)24-12-16(20)11-23-18(21)10-7-15-5-8-17(9-6-15)25-14(3)4/h5-6,8-9,14,16,20H,1,7,10-12H2,2-4H3.
What are the key properties of [2-hydroxy-3-[3-(4-propan-2-yloxyphenyl)propanoyloxy]propyl] 2-methylprop-2-enoate?
[2-hydroxy-3-[3-(4-propan-2-yloxyphenyl)propanoyloxy]propyl] 2-methylprop-2-enoate has a molecular weight of 350.41 g/mol, XLogP of 2.43, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-[3-(4-propan-2-yloxyphenyl)propanoyloxy]propyl] 2-methylprop-2-enoate is sourced from PubChem (CID 118029470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).