oxan-2-yl 1-(4-methylphenyl)cyclohexane-1-carboxylate

C19H26O3 — CID 58611859

IUPACoxan-2-yl 1-(4-methylphenyl)cyclohexane-1-carboxylate
SMILESCc1ccc(C2(C(=O)OC3CCCCO3)CCCCC2)cc1
InChIInChI=1S/C19H26O3/c1-15-8-10-16(11-9-15)19(12-4-2-5-13-19)18(20)22-17-7-3-6-14-21-17/h8-11,17H,2-7,12-14H2,1H3
InChIKeyTUMBRMOGFGAXQZ-UHFFFAOYSA-N
MW302.41 g/mol
LogP4.27
Rot. Bonds3

About oxan-2-yl 1-(4-methylphenyl)cyclohexane-1-carboxylate

oxan-2-yl 1-(4-methylphenyl)cyclohexane-1-carboxylate (PubChem CID 58611859) has the molecular formula C19H26O3 and a molecular weight of 302.41 g/mol. Its IUPAC name is oxan-2-yl 1-(4-methylphenyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameoxan-2-yl 1-(4-methylphenyl)cyclohexane-1-carboxylate
PubChem CID58611859
Molecular FormulaC19H26O3
Molecular Weight302.41 g/mol
Exact Mass302.19
IUPAC Nameoxan-2-yl 1-(4-methylphenyl)cyclohexane-1-carboxylate
SMILESCc1ccc(C2(C(=O)OC3CCCCO3)CCCCC2)cc1
InChIInChI=1S/C19H26O3/c1-15-8-10-16(11-9-15)19(12-4-2-5-13-19)18(20)22-17-7-3-6-14-21-17/h8-11,17H,2-7,12-14H2,1H3
InChIKeyTUMBRMOGFGAXQZ-UHFFFAOYSA-N
XLogP4.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze oxan-2-yl 1-(4-methylphenyl)cyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of oxan-2-yl 1-(4-methylphenyl)cyclohexane-1-carboxylate?
The IUPAC name of oxan-2-yl 1-(4-methylphenyl)cyclohexane-1-carboxylate (CID 58611859) is oxan-2-yl 1-(4-methylphenyl)cyclohexane-1-carboxylate.
What is the SMILES notation for oxan-2-yl 1-(4-methylphenyl)cyclohexane-1-carboxylate?
The canonical SMILES for oxan-2-yl 1-(4-methylphenyl)cyclohexane-1-carboxylate is Cc1ccc(C2(C(=O)OC3CCCCO3)CCCCC2)cc1.
What is the InChIKey of oxan-2-yl 1-(4-methylphenyl)cyclohexane-1-carboxylate?
The InChIKey is TUMBRMOGFGAXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O3/c1-15-8-10-16(11-9-15)19(12-4-2-5-13-19)18(20)22-17-7-3-6-14-21-17/h8-11,17H,2-7,12-14H2,1H3.
What are the key properties of oxan-2-yl 1-(4-methylphenyl)cyclohexane-1-carboxylate?
oxan-2-yl 1-(4-methylphenyl)cyclohexane-1-carboxylate has a molecular weight of 302.41 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-yl 1-(4-methylphenyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 58611859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).