(2-ethenylphenyl) 2-(cyclohexylmethyl)prop-2-enoate

C18H22O2 — CID 142818937

IUPAC(2-ethenylphenyl) 2-(cyclohexylmethyl)prop-2-enoate
SMILESC=Cc1ccccc1OC(=O)C(=C)CC1CCCCC1
InChIInChI=1S/C18H22O2/c1-3-16-11-7-8-12-17(16)20-18(19)14(2)13-15-9-5-4-6-10-15/h3,7-8,11-12,15H,1-2,4-6,9-10,13H2
InChIKeyOKSPBKAJSCYDBO-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.76
Rot. Bonds5

About (2-ethenylphenyl) 2-(cyclohexylmethyl)prop-2-enoate

(2-ethenylphenyl) 2-(cyclohexylmethyl)prop-2-enoate (PubChem CID 142818937) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is (2-ethenylphenyl) 2-(cyclohexylmethyl)prop-2-enoate.

Molecular Properties

Compound Name(2-ethenylphenyl) 2-(cyclohexylmethyl)prop-2-enoate
PubChem CID142818937
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name(2-ethenylphenyl) 2-(cyclohexylmethyl)prop-2-enoate
SMILESC=Cc1ccccc1OC(=O)C(=C)CC1CCCCC1
InChIInChI=1S/C18H22O2/c1-3-16-11-7-8-12-17(16)20-18(19)14(2)13-15-9-5-4-6-10-15/h3,7-8,11-12,15H,1-2,4-6,9-10,13H2
InChIKeyOKSPBKAJSCYDBO-UHFFFAOYSA-N
XLogP4.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-ethenylphenyl) 2-methylidene-4-(oxiran-2-yl)butanoate
CID 142818938
(2-ethenylphenyl) 2-cyanoprop-2-enoate
CID 141117758
2-(2-ethenylphenoxy)oxecane
CID 139905565
2-cyclopentyl-1-phenylethanone;hydrochloride
CID 174593040
(1Z)-3-(2-ethenylphenoxy)cyclooctene
CID 10922278
(2-formylphenyl) but-3-enoate
CID 24823455
N'-(2-cyclopentylacetyl)-2-prop-2-enoxybenzohydrazide
CID 54786488
2-cyclohexyl-N-(2-methoxyphenyl)acetamide
CID 880879
methyl 4-cyclooctyl-2-methylbut-2-enoate;methyl 2-(cyclooctylmethyl)prop-2-enoate
CID 175495445
2-cyclopentyl-1-(2-ethoxyphenyl)ethanone
CID 115533350
(2S)-2-amino-3-cyclohexyl-1-phenylpropan-1-one
CID 101260297
2-(cyclohexylmethyl)-3-phenylprop-2-enoic acid
CID 68815602

Frequently Asked Questions

What is the IUPAC name of (2-ethenylphenyl) 2-(cyclohexylmethyl)prop-2-enoate?
The IUPAC name of (2-ethenylphenyl) 2-(cyclohexylmethyl)prop-2-enoate (CID 142818937) is (2-ethenylphenyl) 2-(cyclohexylmethyl)prop-2-enoate.
What is the SMILES notation for (2-ethenylphenyl) 2-(cyclohexylmethyl)prop-2-enoate?
The canonical SMILES for (2-ethenylphenyl) 2-(cyclohexylmethyl)prop-2-enoate is C=Cc1ccccc1OC(=O)C(=C)CC1CCCCC1.
What is the InChIKey of (2-ethenylphenyl) 2-(cyclohexylmethyl)prop-2-enoate?
The InChIKey is OKSPBKAJSCYDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-3-16-11-7-8-12-17(16)20-18(19)14(2)13-15-9-5-4-6-10-15/h3,7-8,11-12,15H,1-2,4-6,9-10,13H2.
What are the key properties of (2-ethenylphenyl) 2-(cyclohexylmethyl)prop-2-enoate?
(2-ethenylphenyl) 2-(cyclohexylmethyl)prop-2-enoate has a molecular weight of 270.37 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethenylphenyl) 2-(cyclohexylmethyl)prop-2-enoate is sourced from PubChem (CID 142818937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).