(2-cyclohexyl-3-ethylphenyl) formate

C15H20O2 — CID 173400153

IUPAC(2-cyclohexyl-3-ethylphenyl) formate
SMILESCCc1cccc(OC=O)c1C1CCCCC1
InChIInChI=1S/C15H20O2/c1-2-12-9-6-10-14(17-11-16)15(12)13-7-4-3-5-8-13/h6,9-11,13H,2-5,7-8H2,1H3
InChIKeyJTPLQFZWAPTJSD-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.83
Rot. Bonds4

About (2-cyclohexyl-3-ethylphenyl) formate

(2-cyclohexyl-3-ethylphenyl) formate (PubChem CID 173400153) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (2-cyclohexyl-3-ethylphenyl) formate.

Molecular Properties

Compound Name(2-cyclohexyl-3-ethylphenyl) formate
PubChem CID173400153
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(2-cyclohexyl-3-ethylphenyl) formate
SMILESCCc1cccc(OC=O)c1C1CCCCC1
InChIInChI=1S/C15H20O2/c1-2-12-9-6-10-14(17-11-16)15(12)13-7-4-3-5-8-13/h6,9-11,13H,2-5,7-8H2,1H3
InChIKeyJTPLQFZWAPTJSD-UHFFFAOYSA-N
XLogP3.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 175261690
ethyl 2-(2-cyclopentyl-3-methoxyphenyl)acetate
CID 142671917
(2-cyclobutyl-3,4-difluorophenyl) formate
CID 177059742
1-cyclohexyl-3-ethyl-2-methoxybenzene
CID 70191110
(2-propylphenyl) formate
CID 54498769
3-cyclohexyl-4-ethylbenzene-1,2-diol
CID 154435911
2-cyclohexyl-7-ethyl-1H-indole-3-carbaldehyde
CID 3764850
2-cyclopentyloxy-1-ethyl-3-methoxybenzene
CID 90711986
cyclohexyl 2-formyloxybenzoate
CID 54103583
N-[(2-cyclohexyloxyphenyl)methyl]ethanamine
CID 43277237
(2-cyclohexyl-3-propylphenyl)boronic acid
CID 54116276
[2-(hydroxymethyl)phenyl] formate
CID 54203489

Frequently Asked Questions

What is the IUPAC name of (2-cyclohexyl-3-ethylphenyl) formate?
The IUPAC name of (2-cyclohexyl-3-ethylphenyl) formate (CID 173400153) is (2-cyclohexyl-3-ethylphenyl) formate.
What is the SMILES notation for (2-cyclohexyl-3-ethylphenyl) formate?
The canonical SMILES for (2-cyclohexyl-3-ethylphenyl) formate is CCc1cccc(OC=O)c1C1CCCCC1.
What is the InChIKey of (2-cyclohexyl-3-ethylphenyl) formate?
The InChIKey is JTPLQFZWAPTJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-2-12-9-6-10-14(17-11-16)15(12)13-7-4-3-5-8-13/h6,9-11,13H,2-5,7-8H2,1H3.
What are the key properties of (2-cyclohexyl-3-ethylphenyl) formate?
(2-cyclohexyl-3-ethylphenyl) formate has a molecular weight of 232.32 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexyl-3-ethylphenyl) formate is sourced from PubChem (CID 173400153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).