2-(4-chlorophenyl)oxan-4-ol

C11H13ClO2 — CID 15864645

IUPAC2-(4-chlorophenyl)oxan-4-ol
SMILESOC1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C11H13ClO2/c12-9-3-1-8(2-4-9)11-7-10(13)5-6-14-11/h1-4,10-11,13H,5-7H2
InChIKeySMDAPVBKEBEABV-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.55
Rot. Bonds1

About 2-(4-chlorophenyl)oxan-4-ol

2-(4-chlorophenyl)oxan-4-ol (PubChem CID 15864645) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-(4-chlorophenyl)oxan-4-ol.

Molecular Properties

Compound Name2-(4-chlorophenyl)oxan-4-ol
PubChem CID15864645
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name2-(4-chlorophenyl)oxan-4-ol
SMILESOC1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C11H13ClO2/c12-9-3-1-8(2-4-9)11-7-10(13)5-6-14-11/h1-4,10-11,13H,5-7H2
InChIKeySMDAPVBKEBEABV-UHFFFAOYSA-N
XLogP2.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)oxan-4-ol?
The IUPAC name of 2-(4-chlorophenyl)oxan-4-ol (CID 15864645) is 2-(4-chlorophenyl)oxan-4-ol.
What is the SMILES notation for 2-(4-chlorophenyl)oxan-4-ol?
The canonical SMILES for 2-(4-chlorophenyl)oxan-4-ol is OC1CCOC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 2-(4-chlorophenyl)oxan-4-ol?
The InChIKey is SMDAPVBKEBEABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c12-9-3-1-8(2-4-9)11-7-10(13)5-6-14-11/h1-4,10-11,13H,5-7H2.
What are the key properties of 2-(4-chlorophenyl)oxan-4-ol?
2-(4-chlorophenyl)oxan-4-ol has a molecular weight of 212.68 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)oxan-4-ol is sourced from PubChem (CID 15864645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).