oxan-2-yl 1-phenylcyclohexane-1-carboxylate

C18H24O3 — CID 58611858

IUPACoxan-2-yl 1-phenylcyclohexane-1-carboxylate
SMILESO=C(OC1CCCCO1)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C18H24O3/c19-17(21-16-11-5-8-14-20-16)18(12-6-2-7-13-18)15-9-3-1-4-10-15/h1,3-4,9-10,16H,2,5-8,11-14H2
InChIKeyANLQXKSTRIQLRM-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.96
Rot. Bonds3

About oxan-2-yl 1-phenylcyclohexane-1-carboxylate

oxan-2-yl 1-phenylcyclohexane-1-carboxylate (PubChem CID 58611858) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is oxan-2-yl 1-phenylcyclohexane-1-carboxylate.

Molecular Properties

Compound Nameoxan-2-yl 1-phenylcyclohexane-1-carboxylate
PubChem CID58611858
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Nameoxan-2-yl 1-phenylcyclohexane-1-carboxylate
SMILESO=C(OC1CCCCO1)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C18H24O3/c19-17(21-16-11-5-8-14-20-16)18(12-6-2-7-13-18)15-9-3-1-4-10-15/h1,3-4,9-10,16H,2,5-8,11-14H2
InChIKeyANLQXKSTRIQLRM-UHFFFAOYSA-N
XLogP3.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxan-2-yl 1-phenylcyclohexane-1-carboxylate?
The IUPAC name of oxan-2-yl 1-phenylcyclohexane-1-carboxylate (CID 58611858) is oxan-2-yl 1-phenylcyclohexane-1-carboxylate.
What is the SMILES notation for oxan-2-yl 1-phenylcyclohexane-1-carboxylate?
The canonical SMILES for oxan-2-yl 1-phenylcyclohexane-1-carboxylate is O=C(OC1CCCCO1)C1(c2ccccc2)CCCCC1.
What is the InChIKey of oxan-2-yl 1-phenylcyclohexane-1-carboxylate?
The InChIKey is ANLQXKSTRIQLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O3/c19-17(21-16-11-5-8-14-20-16)18(12-6-2-7-13-18)15-9-3-1-4-10-15/h1,3-4,9-10,16H,2,5-8,11-14H2.
What are the key properties of oxan-2-yl 1-phenylcyclohexane-1-carboxylate?
oxan-2-yl 1-phenylcyclohexane-1-carboxylate has a molecular weight of 288.39 g/mol, XLogP of 3.96, 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-phenylcyclohexane-1-carboxylate is sourced from PubChem (CID 58611858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).