methyl 2-(4-pentylphenyl)prop-2-enoate

C15H20O2 — CID 139878463

IUPACmethyl 2-(4-pentylphenyl)prop-2-enoate
SMILESC=C(C(=O)OC)c1ccc(CCCCC)cc1
InChIInChI=1S/C15H20O2/c1-4-5-6-7-13-8-10-14(11-9-13)12(2)15(16)17-3/h8-11H,2,4-7H2,1,3H3
InChIKeyGVBNXZNNHVCVOH-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.61
Rot. Bonds6

About methyl 2-(4-pentylphenyl)prop-2-enoate

methyl 2-(4-pentylphenyl)prop-2-enoate (PubChem CID 139878463) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is methyl 2-(4-pentylphenyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-(4-pentylphenyl)prop-2-enoate
PubChem CID139878463
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Namemethyl 2-(4-pentylphenyl)prop-2-enoate
SMILESC=C(C(=O)OC)c1ccc(CCCCC)cc1
InChIInChI=1S/C15H20O2/c1-4-5-6-7-13-8-10-14(11-9-13)12(2)15(16)17-3/h8-11H,2,4-7H2,1,3H3
InChIKeyGVBNXZNNHVCVOH-UHFFFAOYSA-N
XLogP3.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.61
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

1-butyl-4-[3-(4-butylphenyl)buta-1,3-dien-2-yl]benzene
CID 122396068
(4-pentylbenzoyl) 4-pentylbenzoate
CID 12513442
methyl 4-[bis(4-methoxycarbonylphenyl)-(4-tetradecylphenyl)methyl]benzoate
CID 71499740
4-pentylbenzoyl bromide
CID 87349955
methyl 4-(4-pentylphenoxy)benzoate
CID 142415116
methyl 4-[3-(4-hexylphenyl)-3-oxopropanoyl]benzoate
CID 58428312
ethyl 2-(4-dodecylphenyl)-2-oxoacetate
CID 141306424
2-[(4-butylbenzoyl)amino]prop-2-enoic acid
CID 167119369
ethane;1-(4-hexadecylphenyl)ethanone
CID 144958905
ethyl 4-octylbenzoate
CID 19591720
1-(4-hexylphenyl)-3-methoxypropan-1-one
CID 82050296
methyl 4-methyl-3-(4-pentylphenyl)benzoate
CID 157124808

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-pentylphenyl)prop-2-enoate?
The IUPAC name of methyl 2-(4-pentylphenyl)prop-2-enoate (CID 139878463) is methyl 2-(4-pentylphenyl)prop-2-enoate.
What is the SMILES notation for methyl 2-(4-pentylphenyl)prop-2-enoate?
The canonical SMILES for methyl 2-(4-pentylphenyl)prop-2-enoate is C=C(C(=O)OC)c1ccc(CCCCC)cc1.
What is the InChIKey of methyl 2-(4-pentylphenyl)prop-2-enoate?
The InChIKey is GVBNXZNNHVCVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-4-5-6-7-13-8-10-14(11-9-13)12(2)15(16)17-3/h8-11H,2,4-7H2,1,3H3.
What are the key properties of methyl 2-(4-pentylphenyl)prop-2-enoate?
methyl 2-(4-pentylphenyl)prop-2-enoate has a molecular weight of 232.32 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-pentylphenyl)prop-2-enoate is sourced from PubChem (CID 139878463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).