(4-hydroxy-4-phenylpentan-2-yl) 2-methylprop-2-enoate

C15H20O3 — CID 145165282

IUPAC(4-hydroxy-4-phenylpentan-2-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)CC(C)(O)c1ccccc1
InChIInChI=1S/C15H20O3/c1-11(2)14(16)18-12(3)10-15(4,17)13-8-6-5-7-9-13/h5-9,12,17H,1,10H2,2-4H3
InChIKeyPPBHGQBMSBDTJV-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.79
Rot. Bonds5

About (4-hydroxy-4-phenylpentan-2-yl) 2-methylprop-2-enoate

(4-hydroxy-4-phenylpentan-2-yl) 2-methylprop-2-enoate (PubChem CID 145165282) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is (4-hydroxy-4-phenylpentan-2-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(4-hydroxy-4-phenylpentan-2-yl) 2-methylprop-2-enoate
PubChem CID145165282
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name(4-hydroxy-4-phenylpentan-2-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)CC(C)(O)c1ccccc1
InChIInChI=1S/C15H20O3/c1-11(2)14(16)18-12(3)10-15(4,17)13-8-6-5-7-9-13/h5-9,12,17H,1,10H2,2-4H3
InChIKeyPPBHGQBMSBDTJV-UHFFFAOYSA-N
XLogP2.79
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-phenylpropan-2-yl 2-methylprop-2-enoate
CID 68742666
(2-hydroxy-2-phenylpropyl) 2-methylprop-2-enoate
CID 122518351
2-(2-methylprop-2-enoyloxy)propyl-phenylcarbamic acid
CID 23221364
4-aminopentan-2-yl 2-methylprop-2-enoate;diphenylmethanone
CID 175127791
[4-methyl-4-(2-propan-2-ylphenyl)peroxypentan-2-yl] 2-methylprop-2-enoate
CID 164851860
1,5-bis(2-phenylpropan-2-ylsulfanyl)pentan-3-yl 2-methylprop-2-enoate
CID 66777733
benzene;propan-2-yl 2-methylprop-2-enoate
CID 174524984
[3-methyl-2-(2-methylprop-2-enoyloxymethyl)-2-phenylbutyl] 2-methylprop-2-enoate
CID 22918054
(4,4-dihydroxy-3-methyl-4-phenylbutyl) 2-methylprop-2-enoate
CID 150252991
1-(4-phenyldiazenylphenyl)propan-2-yl 2-methylprop-2-enoate
CID 174346724
1-[2-(benzenesulfonyl)acetyl]oxypropan-2-yl 2-methylprop-2-enoate
CID 156637950
ethane-1,2-diol;1-phenylethyl 2-methylprop-2-enoate
CID 22590329

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-4-phenylpentan-2-yl) 2-methylprop-2-enoate?
The IUPAC name of (4-hydroxy-4-phenylpentan-2-yl) 2-methylprop-2-enoate (CID 145165282) is (4-hydroxy-4-phenylpentan-2-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (4-hydroxy-4-phenylpentan-2-yl) 2-methylprop-2-enoate?
The canonical SMILES for (4-hydroxy-4-phenylpentan-2-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)CC(C)(O)c1ccccc1.
What is the InChIKey of (4-hydroxy-4-phenylpentan-2-yl) 2-methylprop-2-enoate?
The InChIKey is PPBHGQBMSBDTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-11(2)14(16)18-12(3)10-15(4,17)13-8-6-5-7-9-13/h5-9,12,17H,1,10H2,2-4H3.
What are the key properties of (4-hydroxy-4-phenylpentan-2-yl) 2-methylprop-2-enoate?
(4-hydroxy-4-phenylpentan-2-yl) 2-methylprop-2-enoate has a molecular weight of 248.32 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-4-phenylpentan-2-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 145165282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).