2-ethenylphenol;2-naphthalen-2-ylpropan-2-yl 2-methylprop-2-enoate

C25H26O3 — CID 89466456

IUPAC2-ethenylphenol;2-naphthalen-2-ylpropan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)c1ccc2ccccc2c1.C=Cc1ccccc1O
InChIInChI=1S/C17H18O2.C8H8O/c1-12(2)16(18)19-17(3,4)15-10-9-13-7-5-6-8-14(13)11-15;1-2-7-5-3-4-6-8(7)9/h5-11H,1H2,2-4H3;2-6,9H,1H2
InChIKeyJDGNSSPWEFVXJT-UHFFFAOYSA-N
MW374.48 g/mol
LogP6.23
Rot. Bonds4

About 2-ethenylphenol;2-naphthalen-2-ylpropan-2-yl 2-methylprop-2-enoate

2-ethenylphenol;2-naphthalen-2-ylpropan-2-yl 2-methylprop-2-enoate (PubChem CID 89466456) has the molecular formula C25H26O3 and a molecular weight of 374.48 g/mol. Its IUPAC name is 2-ethenylphenol;2-naphthalen-2-ylpropan-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-ethenylphenol;2-naphthalen-2-ylpropan-2-yl 2-methylprop-2-enoate
PubChem CID89466456
Molecular FormulaC25H26O3
Molecular Weight374.48 g/mol
Exact Mass374.19
IUPAC Name2-ethenylphenol;2-naphthalen-2-ylpropan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)c1ccc2ccccc2c1.C=Cc1ccccc1O
InChIInChI=1S/C17H18O2.C8H8O/c1-12(2)16(18)19-17(3,4)15-10-9-13-7-5-6-8-14(13)11-15;1-2-7-5-3-4-6-8(7)9/h5-11H,1H2,2-4H3;2-6,9H,1H2
InChIKeyJDGNSSPWEFVXJT-UHFFFAOYSA-N
XLogP6.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 56.23
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-(4-tert-butylphenyl)propan-2-yl 2-methylprop-2-enoate
CID 118193786
1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-ylphenol;1-ethenyl-4-(1-ethoxyethoxy)benzene;bis(2-naphthalen-2-ylpropan-2-yl 2,2-dimethylbutanoate);2-naphthalen-2-ylpropan-2-yl 2-methylprop-2-enoate
CID 157147652
2-phenanthren-1-ylpropan-2-yl 2-methylprop-2-enoate
CID 177106309
(2-ethenylphenyl) 2-methylprop-2-enoate
CID 19607397
2-ethenylphenol
CID 161061609
methyl 2-methylprop-2-enoate;pentacene
CID 159710658
benzoyl benzenecarboperoxoate;2-ethenylphenol
CID 174484320
CID 162316519
CID 162316519
1-ethenyl-2-ethylbenzene;methyl 2-methylprop-2-enoate
CID 174879691
[1-(2-ethenylphenyl)-1-(2-methylphenyl)propyl] 2-methylprop-2-enoate
CID 118362475
(2R)-2-hydroxy-2-naphthalen-2-ylpropanal
CID 122375981
tert-butyl N-[2-(2-hydroxyphenyl)ethenyl]carbamate
CID 175281086

Frequently Asked Questions

What is the IUPAC name of 2-ethenylphenol;2-naphthalen-2-ylpropan-2-yl 2-methylprop-2-enoate?
The IUPAC name of 2-ethenylphenol;2-naphthalen-2-ylpropan-2-yl 2-methylprop-2-enoate (CID 89466456) is 2-ethenylphenol;2-naphthalen-2-ylpropan-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 2-ethenylphenol;2-naphthalen-2-ylpropan-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 2-ethenylphenol;2-naphthalen-2-ylpropan-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)(C)c1ccc2ccccc2c1.C=Cc1ccccc1O.
What is the InChIKey of 2-ethenylphenol;2-naphthalen-2-ylpropan-2-yl 2-methylprop-2-enoate?
The InChIKey is JDGNSSPWEFVXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2.C8H8O/c1-12(2)16(18)19-17(3,4)15-10-9-13-7-5-6-8-14(13)11-15;1-2-7-5-3-4-6-8(7)9/h5-11H,1H2,2-4H3;2-6,9H,1H2.
What are the key properties of 2-ethenylphenol;2-naphthalen-2-ylpropan-2-yl 2-methylprop-2-enoate?
2-ethenylphenol;2-naphthalen-2-ylpropan-2-yl 2-methylprop-2-enoate has a molecular weight of 374.48 g/mol, XLogP of 6.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylphenol;2-naphthalen-2-ylpropan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 89466456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).