(4-chlorophenyl)-(1,4-dioxan-2-yl)methanol

C11H13ClO3 — CID 62803673

IUPAC(4-chlorophenyl)-(1,4-dioxan-2-yl)methanol
SMILESOC(c1ccc(Cl)cc1)C1COCCO1
InChIInChI=1S/C11H13ClO3/c12-9-3-1-8(2-4-9)11(13)10-7-14-5-6-15-10/h1-4,10-11,13H,5-7H2
InChIKeyRAIKITLSGYBJCN-UHFFFAOYSA-N
MW228.67 g/mol
LogP1.79
Rot. Bonds2

About (4-chlorophenyl)-(1,4-dioxan-2-yl)methanol

(4-chlorophenyl)-(1,4-dioxan-2-yl)methanol (PubChem CID 62803673) has the molecular formula C11H13ClO3 and a molecular weight of 228.67 g/mol. Its IUPAC name is (4-chlorophenyl)-(1,4-dioxan-2-yl)methanol.

Molecular Properties

Compound Name(4-chlorophenyl)-(1,4-dioxan-2-yl)methanol
PubChem CID62803673
Molecular FormulaC11H13ClO3
Molecular Weight228.67 g/mol
Exact Mass228.06
IUPAC Name(4-chlorophenyl)-(1,4-dioxan-2-yl)methanol
SMILESOC(c1ccc(Cl)cc1)C1COCCO1
InChIInChI=1S/C11H13ClO3/c12-9-3-1-8(2-4-9)11(13)10-7-14-5-6-15-10/h1-4,10-11,13H,5-7H2
InChIKeyRAIKITLSGYBJCN-UHFFFAOYSA-N
XLogP1.79
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.67
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(1,4-dioxan-2-yl)methanol?
The IUPAC name of (4-chlorophenyl)-(1,4-dioxan-2-yl)methanol (CID 62803673) is (4-chlorophenyl)-(1,4-dioxan-2-yl)methanol.
What is the SMILES notation for (4-chlorophenyl)-(1,4-dioxan-2-yl)methanol?
The canonical SMILES for (4-chlorophenyl)-(1,4-dioxan-2-yl)methanol is OC(c1ccc(Cl)cc1)C1COCCO1.
What is the InChIKey of (4-chlorophenyl)-(1,4-dioxan-2-yl)methanol?
The InChIKey is RAIKITLSGYBJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO3/c12-9-3-1-8(2-4-9)11(13)10-7-14-5-6-15-10/h1-4,10-11,13H,5-7H2.
What are the key properties of (4-chlorophenyl)-(1,4-dioxan-2-yl)methanol?
(4-chlorophenyl)-(1,4-dioxan-2-yl)methanol has a molecular weight of 228.67 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(1,4-dioxan-2-yl)methanol is sourced from PubChem (CID 62803673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).