2-(cyclohexylmethoxy)-3-phenylprop-2-enoic acid

C16H20O3 — CID 54385999

IUPAC2-(cyclohexylmethoxy)-3-phenylprop-2-enoic acid
SMILESO=C(O)C(=Cc1ccccc1)OCC1CCCCC1
InChIInChI=1S/C16H20O3/c17-16(18)15(11-13-7-3-1-4-8-13)19-12-14-9-5-2-6-10-14/h1,3-4,7-8,11,14H,2,5-6,9-10,12H2,(H,17,18)
InChIKeyVDGWVJAMYWXILR-UHFFFAOYSA-N
MW260.33 g/mol
LogP3.71
Rot. Bonds5

About 2-(cyclohexylmethoxy)-3-phenylprop-2-enoic acid

2-(cyclohexylmethoxy)-3-phenylprop-2-enoic acid (PubChem CID 54385999) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-(cyclohexylmethoxy)-3-phenylprop-2-enoic acid.

Molecular Properties

Compound Name2-(cyclohexylmethoxy)-3-phenylprop-2-enoic acid
PubChem CID54385999
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name2-(cyclohexylmethoxy)-3-phenylprop-2-enoic acid
SMILESO=C(O)C(=Cc1ccccc1)OCC1CCCCC1
InChIInChI=1S/C16H20O3/c17-16(18)15(11-13-7-3-1-4-8-13)19-12-14-9-5-2-6-10-14/h1,3-4,7-8,11,14H,2,5-6,9-10,12H2,(H,17,18)
InChIKeyVDGWVJAMYWXILR-UHFFFAOYSA-N
XLogP3.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

cyclohexylmethyl 2-acetamido-3-phenylprop-2-enoate
CID 7229393
2-(cyclohexylmethyl)-3-phenylprop-2-enoic acid
CID 68815602
cyclohexylmethyl 2-hydroxy-2,2-diphenylacetate
CID 7191546
cyclohexylmethyl (2S)-2-phenylpropanoate
CID 134967383
(Z)-2-cyclohexyl-3-phenylprop-2-enoic acid
CID 15445735
cyclohexylmethyl 2-amino-3-phenylpropanoate
CID 62383262
2-methoxy-3-phenylprop-2-enoic acid
CID 7021154
4-O-(cyclohexylmethyl) 1-O-(3-phenylpropyl) (E)-but-2-enedioate
CID 91710137
cyclobutylmethyl phenyl carbonate
CID 67717411
CID 159805914
CID 159805914
europium;tris(2-methoxy-3-phenylprop-2-enoic acid)
CID 169448208
benzoic acid;methoxymethylcyclohexane
CID 175415905

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethoxy)-3-phenylprop-2-enoic acid?
The IUPAC name of 2-(cyclohexylmethoxy)-3-phenylprop-2-enoic acid (CID 54385999) is 2-(cyclohexylmethoxy)-3-phenylprop-2-enoic acid.
What is the SMILES notation for 2-(cyclohexylmethoxy)-3-phenylprop-2-enoic acid?
The canonical SMILES for 2-(cyclohexylmethoxy)-3-phenylprop-2-enoic acid is O=C(O)C(=Cc1ccccc1)OCC1CCCCC1.
What is the InChIKey of 2-(cyclohexylmethoxy)-3-phenylprop-2-enoic acid?
The InChIKey is VDGWVJAMYWXILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3/c17-16(18)15(11-13-7-3-1-4-8-13)19-12-14-9-5-2-6-10-14/h1,3-4,7-8,11,14H,2,5-6,9-10,12H2,(H,17,18).
What are the key properties of 2-(cyclohexylmethoxy)-3-phenylprop-2-enoic acid?
2-(cyclohexylmethoxy)-3-phenylprop-2-enoic acid has a molecular weight of 260.33 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethoxy)-3-phenylprop-2-enoic acid is sourced from PubChem (CID 54385999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).