[2-hydroxy-1-(2-phenylphenyl)propyl] 2-methylprop-2-enoate

C19H20O3 — CID 142656372

IUPAC[2-hydroxy-1-(2-phenylphenyl)propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(c1ccccc1-c1ccccc1)C(C)O
InChIInChI=1S/C19H20O3/c1-13(2)19(21)22-18(14(3)20)17-12-8-7-11-16(17)15-9-5-4-6-10-15/h4-12,14,18,20H,1H2,2-3H3
InChIKeyJPKRNLBSJWFCFM-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.89
Rot. Bonds5

About [2-hydroxy-1-(2-phenylphenyl)propyl] 2-methylprop-2-enoate

[2-hydroxy-1-(2-phenylphenyl)propyl] 2-methylprop-2-enoate (PubChem CID 142656372) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is [2-hydroxy-1-(2-phenylphenyl)propyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-hydroxy-1-(2-phenylphenyl)propyl] 2-methylprop-2-enoate
PubChem CID142656372
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name[2-hydroxy-1-(2-phenylphenyl)propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(c1ccccc1-c1ccccc1)C(C)O
InChIInChI=1S/C19H20O3/c1-13(2)19(21)22-18(14(3)20)17-12-8-7-11-16(17)15-9-5-4-6-10-15/h4-12,14,18,20H,1H2,2-3H3
InChIKeyJPKRNLBSJWFCFM-UHFFFAOYSA-N
XLogP3.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.89
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

[2-[1-(2-methylprop-2-enoyloxy)ethyl]phenyl]carbamic acid
CID 66993357
benzene;propan-2-yl 2-methylprop-2-enoate
CID 174524984
1-(4-phenylphenoxy)ethyl 2-methylprop-2-enoate
CID 19828999
1-azulen-1-ylazulene;2-methylprop-2-enoic acid
CID 175754594
1-(2-bromophenyl)ethyl 2-methylprop-2-enoate
CID 140663803
1-(2,3-dihydroxyphenyl)ethyl 2-methylprop-2-enoate
CID 174632802
ethane-1,2-diol;1-phenylethyl 2-methylprop-2-enoate
CID 22590329
bis(1,1'-biphenyl);2-(2-phenylphenyl)propanoic acid
CID 70214547
1-phenylpropan-2-yl 2-methylprop-2-enoate
CID 68742666
2-[2-[1-(2-methylprop-2-enoyloxy)ethoxycarbonyl]phenyl]benzoic acid
CID 67470033
(3-phenyl-2-sulfanylphenyl) 2-methylprop-2-enoate
CID 139613270
3-(2-phenylphenoxy)butyl 2-methylprop-2-enoate
CID 140787377

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-1-(2-phenylphenyl)propyl] 2-methylprop-2-enoate?
The IUPAC name of [2-hydroxy-1-(2-phenylphenyl)propyl] 2-methylprop-2-enoate (CID 142656372) is [2-hydroxy-1-(2-phenylphenyl)propyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-hydroxy-1-(2-phenylphenyl)propyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-hydroxy-1-(2-phenylphenyl)propyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(c1ccccc1-c1ccccc1)C(C)O.
What is the InChIKey of [2-hydroxy-1-(2-phenylphenyl)propyl] 2-methylprop-2-enoate?
The InChIKey is JPKRNLBSJWFCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c1-13(2)19(21)22-18(14(3)20)17-12-8-7-11-16(17)15-9-5-4-6-10-15/h4-12,14,18,20H,1H2,2-3H3.
What are the key properties of [2-hydroxy-1-(2-phenylphenyl)propyl] 2-methylprop-2-enoate?
[2-hydroxy-1-(2-phenylphenyl)propyl] 2-methylprop-2-enoate has a molecular weight of 296.37 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-1-(2-phenylphenyl)propyl] 2-methylprop-2-enoate is sourced from PubChem (CID 142656372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).