(2,5-dichlorophenyl)-(oxan-3-yl)methanol

C12H14Cl2O2 — CID 63013314

IUPAC(2,5-dichlorophenyl)-(oxan-3-yl)methanol
SMILESOC(c1cc(Cl)ccc1Cl)C1CCCOC1
InChIInChI=1S/C12H14Cl2O2/c13-9-3-4-11(14)10(6-9)12(15)8-2-1-5-16-7-8/h3-4,6,8,12,15H,1-2,5,7H2
InChIKeyCFHBVDDJLWWFPJ-UHFFFAOYSA-N
MW261.15 g/mol
LogP3.45
Rot. Bonds2

About (2,5-dichlorophenyl)-(oxan-3-yl)methanol

(2,5-dichlorophenyl)-(oxan-3-yl)methanol (PubChem CID 63013314) has the molecular formula C12H14Cl2O2 and a molecular weight of 261.15 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-(oxan-3-yl)methanol.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-(oxan-3-yl)methanol
PubChem CID63013314
Molecular FormulaC12H14Cl2O2
Molecular Weight261.15 g/mol
Exact Mass260.04
IUPAC Name(2,5-dichlorophenyl)-(oxan-3-yl)methanol
SMILESOC(c1cc(Cl)ccc1Cl)C1CCCOC1
InChIInChI=1S/C12H14Cl2O2/c13-9-3-4-11(14)10(6-9)12(15)8-2-1-5-16-7-8/h3-4,6,8,12,15H,1-2,5,7H2
InChIKeyCFHBVDDJLWWFPJ-UHFFFAOYSA-N
XLogP3.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-4-fluorophenyl)-(oxan-3-yl)methanol
CID 107136089
(2,4-difluorophenyl)-(oxan-3-yl)methanol
CID 63014562
(3-chloro-4-pyridinyl)-(oxan-3-yl)methanol
CID 107139487
3-[chloro-(2,5-dichlorophenyl)methyl]oxolane
CID 61278920
6-chloro-5-[hydroxy(oxan-3-yl)methyl]-1,3-dihydroindol-2-one
CID 63013855
(2-chlorophenyl)-(oxolan-3-yl)methanol
CID 63564171
(5-fluoro-2-methylphenyl)-(oxan-3-yl)methanol
CID 63899537
(4-chloro-2-methoxyphenyl)-(oxolan-3-yl)methanol
CID 115798171
[(5-chloro-2-fluorophenyl)-(oxan-3-yl)methyl]hydrazine
CID 107139728
(2,4-difluoro-5-methylphenyl)-(oxan-3-yl)methanol
CID 79731520
(5-bromo-2-methylphenyl)-(oxan-3-yl)methanol
CID 107139423
(3-aminophenyl)-(oxan-3-yl)methanol
CID 107136268

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-(oxan-3-yl)methanol?
The IUPAC name of (2,5-dichlorophenyl)-(oxan-3-yl)methanol (CID 63013314) is (2,5-dichlorophenyl)-(oxan-3-yl)methanol.
What is the SMILES notation for (2,5-dichlorophenyl)-(oxan-3-yl)methanol?
The canonical SMILES for (2,5-dichlorophenyl)-(oxan-3-yl)methanol is OC(c1cc(Cl)ccc1Cl)C1CCCOC1.
What is the InChIKey of (2,5-dichlorophenyl)-(oxan-3-yl)methanol?
The InChIKey is CFHBVDDJLWWFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2O2/c13-9-3-4-11(14)10(6-9)12(15)8-2-1-5-16-7-8/h3-4,6,8,12,15H,1-2,5,7H2.
What are the key properties of (2,5-dichlorophenyl)-(oxan-3-yl)methanol?
(2,5-dichlorophenyl)-(oxan-3-yl)methanol has a molecular weight of 261.15 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-(oxan-3-yl)methanol is sourced from PubChem (CID 63013314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).