4-(2,5-dichlorophenyl)oxan-4-ol

C11H12Cl2O2 — CID 63220164

IUPAC4-(2,5-dichlorophenyl)oxan-4-ol
SMILESOC1(c2cc(Cl)ccc2Cl)CCOCC1
InChIInChI=1S/C11H12Cl2O2/c12-8-1-2-10(13)9(7-8)11(14)3-5-15-6-4-11/h1-2,7,14H,3-6H2
InChIKeyIFCZFNAUFQJMEL-UHFFFAOYSA-N
MW247.12 g/mol
LogP2.99
Rot. Bonds1

About 4-(2,5-dichlorophenyl)oxan-4-ol

4-(2,5-dichlorophenyl)oxan-4-ol (PubChem CID 63220164) has the molecular formula C11H12Cl2O2 and a molecular weight of 247.12 g/mol. Its IUPAC name is 4-(2,5-dichlorophenyl)oxan-4-ol.

Molecular Properties

Compound Name4-(2,5-dichlorophenyl)oxan-4-ol
PubChem CID63220164
Molecular FormulaC11H12Cl2O2
Molecular Weight247.12 g/mol
Exact Mass246.02
IUPAC Name4-(2,5-dichlorophenyl)oxan-4-ol
SMILESOC1(c2cc(Cl)ccc2Cl)CCOCC1
InChIInChI=1S/C11H12Cl2O2/c12-8-1-2-10(13)9(7-8)11(14)3-5-15-6-4-11/h1-2,7,14H,3-6H2
InChIKeyIFCZFNAUFQJMEL-UHFFFAOYSA-N
XLogP2.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-chlorophenyl)oxan-4-ol
CID 63220219
4-(2,5-dichlorophenyl)azepan-4-ol
CID 103982873
1-(5-chloro-2-fluorophenyl)cyclopentan-1-ol
CID 83384980
(4-aminooxan-4-yl)-(2,5-dichlorophenyl)methanone
CID 116604624
1-(2,5-dichlorophenyl)-3-propan-2-ylcyclobutan-1-ol
CID 103564302
4-(2-fluorophenyl)oxan-4-ol
CID 63220717
3-(2,4-dichlorophenyl)oxetan-3-ol
CID 83690306
4-(2-fluoro-5-methoxyphenyl)oxan-4-ol
CID 171367710
1-(2,5-dichlorophenyl)cyclopropane-1-carboxylic acid
CID 83711945
1-(2,5-dichlorophenyl)-2-methylcyclopropan-1-ol
CID 79332312
2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 71989539
4-(4-fluoro-2-hydroxyphenyl)oxan-4-ol
CID 117104442

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorophenyl)oxan-4-ol?
The IUPAC name of 4-(2,5-dichlorophenyl)oxan-4-ol (CID 63220164) is 4-(2,5-dichlorophenyl)oxan-4-ol.
What is the SMILES notation for 4-(2,5-dichlorophenyl)oxan-4-ol?
The canonical SMILES for 4-(2,5-dichlorophenyl)oxan-4-ol is OC1(c2cc(Cl)ccc2Cl)CCOCC1.
What is the InChIKey of 4-(2,5-dichlorophenyl)oxan-4-ol?
The InChIKey is IFCZFNAUFQJMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O2/c12-8-1-2-10(13)9(7-8)11(14)3-5-15-6-4-11/h1-2,7,14H,3-6H2.
What are the key properties of 4-(2,5-dichlorophenyl)oxan-4-ol?
4-(2,5-dichlorophenyl)oxan-4-ol has a molecular weight of 247.12 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorophenyl)oxan-4-ol is sourced from PubChem (CID 63220164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).