(2-methylcyclohex-2-en-1-yl) 2-phenylacetate;propan-2-ol

C18H26O3 — CID 142509256

IUPAC(2-methylcyclohex-2-en-1-yl) 2-phenylacetate;propan-2-ol
SMILESCC(C)O.CC1=CCCCC1OC(=O)Cc1ccccc1
InChIInChI=1S/C15H18O2.C3H8O/c1-12-7-5-6-10-14(12)17-15(16)11-13-8-3-2-4-9-13;1-3(2)4/h2-4,7-9,14H,5-6,10-11H2,1H3;3-4H,1-2H3
InChIKeyVIKMRYDGTSIGAW-UHFFFAOYSA-N
MW290.40 g/mol
LogP3.66
Rot. Bonds3

About (2-methylcyclohex-2-en-1-yl) 2-phenylacetate;propan-2-ol

(2-methylcyclohex-2-en-1-yl) 2-phenylacetate;propan-2-ol (PubChem CID 142509256) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is (2-methylcyclohex-2-en-1-yl) 2-phenylacetate;propan-2-ol.

Molecular Properties

Compound Name(2-methylcyclohex-2-en-1-yl) 2-phenylacetate;propan-2-ol
PubChem CID142509256
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name(2-methylcyclohex-2-en-1-yl) 2-phenylacetate;propan-2-ol
SMILESCC(C)O.CC1=CCCCC1OC(=O)Cc1ccccc1
InChIInChI=1S/C15H18O2.C3H8O/c1-12-7-5-6-10-14(12)17-15(16)11-13-8-3-2-4-9-13;1-3(2)4/h2-4,7-9,14H,5-6,10-11H2,1H3;3-4H,1-2H3
InChIKeyVIKMRYDGTSIGAW-UHFFFAOYSA-N
XLogP3.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-methylcyclohex-2-en-1-yl) 2-phenylacetate;propan-2-ol?
The IUPAC name of (2-methylcyclohex-2-en-1-yl) 2-phenylacetate;propan-2-ol (CID 142509256) is (2-methylcyclohex-2-en-1-yl) 2-phenylacetate;propan-2-ol.
What is the SMILES notation for (2-methylcyclohex-2-en-1-yl) 2-phenylacetate;propan-2-ol?
The canonical SMILES for (2-methylcyclohex-2-en-1-yl) 2-phenylacetate;propan-2-ol is CC(C)O.CC1=CCCCC1OC(=O)Cc1ccccc1.
What is the InChIKey of (2-methylcyclohex-2-en-1-yl) 2-phenylacetate;propan-2-ol?
The InChIKey is VIKMRYDGTSIGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2.C3H8O/c1-12-7-5-6-10-14(12)17-15(16)11-13-8-3-2-4-9-13;1-3(2)4/h2-4,7-9,14H,5-6,10-11H2,1H3;3-4H,1-2H3.
What are the key properties of (2-methylcyclohex-2-en-1-yl) 2-phenylacetate;propan-2-ol?
(2-methylcyclohex-2-en-1-yl) 2-phenylacetate;propan-2-ol has a molecular weight of 290.40 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclohex-2-en-1-yl) 2-phenylacetate;propan-2-ol is sourced from PubChem (CID 142509256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).