4-phenylbutyl 2-methylprop-2-enoate

C14H18O2 — CID 22507477

IUPAC4-phenylbutyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCc1ccccc1
InChIInChI=1S/C14H18O2/c1-12(2)14(15)16-11-7-6-10-13-8-4-3-5-9-13/h3-5,8-9H,1,6-7,10-11H2,2H3
InChIKeyIGVCHZAHFGFESB-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.13
Rot. Bonds6

About 4-phenylbutyl 2-methylprop-2-enoate

4-phenylbutyl 2-methylprop-2-enoate (PubChem CID 22507477) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-phenylbutyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name4-phenylbutyl 2-methylprop-2-enoate
PubChem CID22507477
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name4-phenylbutyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCc1ccccc1
InChIInChI=1S/C14H18O2/c1-12(2)14(15)16-11-7-6-10-13-8-4-3-5-9-13/h3-5,8-9H,1,6-7,10-11H2,2H3
InChIKeyIGVCHZAHFGFESB-UHFFFAOYSA-N
XLogP3.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 175978198
CID 175978198
4-pyridin-4-ylbutyl 2-methylprop-2-enoate
CID 139844492
4-[5-(2-methylprop-2-enoyloxy)pentyl]benzoic acid
CID 155394997
4-(3-methylphenyl)butyl 2-methylprop-2-enoate
CID 174548240
tetrakis(butan-1-ol);methanol;methyl 2-methylprop-2-enoate;4-phenylbutan-1-ol;4-phenylbutyl 2-methylprop-2-enoate;titanium
CID 158019105
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;toluene
CID 163489883
12-[4-(2,2-dimethoxy-2-phenylacetyl)phenyl]dodecyl 2-methylprop-2-enoate
CID 129036125
4-(3,4-dihydroxyphenyl)butyl 2-methylprop-2-enoate
CID 167431322
5-(2-phenylphenyl)pentyl 2-methylprop-2-enoate
CID 171768668
4-bis(phenylmethoxy)silylbutyl 2-methylprop-2-enoate
CID 123419243
benzyl-dimethyl-[8-(2-methylprop-2-enoyloxy)octyl]azanium
CID 139823019
4-[benzyl(dimethoxy)silyl]butyl 2-methylprop-2-enoate
CID 139977884

Frequently Asked Questions

What is the IUPAC name of 4-phenylbutyl 2-methylprop-2-enoate?
The IUPAC name of 4-phenylbutyl 2-methylprop-2-enoate (CID 22507477) is 4-phenylbutyl 2-methylprop-2-enoate.
What is the SMILES notation for 4-phenylbutyl 2-methylprop-2-enoate?
The canonical SMILES for 4-phenylbutyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCc1ccccc1.
What is the InChIKey of 4-phenylbutyl 2-methylprop-2-enoate?
The InChIKey is IGVCHZAHFGFESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-12(2)14(15)16-11-7-6-10-13-8-4-3-5-9-13/h3-5,8-9H,1,6-7,10-11H2,2H3.
What are the key properties of 4-phenylbutyl 2-methylprop-2-enoate?
4-phenylbutyl 2-methylprop-2-enoate has a molecular weight of 218.30 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylbutyl 2-methylprop-2-enoate is sourced from PubChem (CID 22507477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).