(3,5-dichlorophenyl)-(oxolan-3-yl)methanol

C11H12Cl2O2 — CID 63899921

IUPAC(3,5-dichlorophenyl)-(oxolan-3-yl)methanol
SMILESOC(c1cc(Cl)cc(Cl)c1)C1CCOC1
InChIInChI=1S/C11H12Cl2O2/c12-9-3-8(4-10(13)5-9)11(14)7-1-2-15-6-7/h3-5,7,11,14H,1-2,6H2
InChIKeyNEVJVGMPOKMOCW-UHFFFAOYSA-N
MW247.12 g/mol
LogP3.06
Rot. Bonds2

About (3,5-dichlorophenyl)-(oxolan-3-yl)methanol

(3,5-dichlorophenyl)-(oxolan-3-yl)methanol (PubChem CID 63899921) has the molecular formula C11H12Cl2O2 and a molecular weight of 247.12 g/mol. Its IUPAC name is (3,5-dichlorophenyl)-(oxolan-3-yl)methanol.

Molecular Properties

Compound Name(3,5-dichlorophenyl)-(oxolan-3-yl)methanol
PubChem CID63899921
Molecular FormulaC11H12Cl2O2
Molecular Weight247.12 g/mol
Exact Mass246.02
IUPAC Name(3,5-dichlorophenyl)-(oxolan-3-yl)methanol
SMILESOC(c1cc(Cl)cc(Cl)c1)C1CCOC1
InChIInChI=1S/C11H12Cl2O2/c12-9-3-8(4-10(13)5-9)11(14)7-1-2-15-6-7/h3-5,7,11,14H,1-2,6H2
InChIKeyNEVJVGMPOKMOCW-UHFFFAOYSA-N
XLogP3.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-(3,5-dichlorophenyl)-(oxan-4-yl)methanamine
CID 131424758
(3-chloro-4,5-dimethoxyphenyl)-(oxolan-3-yl)methanol
CID 63563606
(3,5-dichloro-2-pyridinyl)-(oxolan-3-yl)methanol
CID 79781092
furan-3-yl(oxolan-3-yl)methanol
CID 63894971
oxolan-3-yl-(2,4,6-trifluorophenyl)methanol
CID 61277498
(5-chloro-3-pyridinyl)-(oxolan-3-yl)methanamine
CID 131115157
(2-chlorophenyl)-(oxolan-3-yl)methanol
CID 63564171
(4-chloro-2-methoxyphenyl)-(oxolan-3-yl)methanol
CID 115798171
(6-bromonaphthalen-2-yl)-(oxolan-3-yl)methanol
CID 115798116
(3,5-dibromophenyl)-(oxan-4-yl)methanol
CID 107978364
(1-methylpyrazol-4-yl)-(oxolan-3-yl)methanol
CID 61279320
(3,5-dichlorophenyl)-(3,4-dimethylcyclohexyl)methanol
CID 64739213

Frequently Asked Questions

What is the IUPAC name of (3,5-dichlorophenyl)-(oxolan-3-yl)methanol?
The IUPAC name of (3,5-dichlorophenyl)-(oxolan-3-yl)methanol (CID 63899921) is (3,5-dichlorophenyl)-(oxolan-3-yl)methanol.
What is the SMILES notation for (3,5-dichlorophenyl)-(oxolan-3-yl)methanol?
The canonical SMILES for (3,5-dichlorophenyl)-(oxolan-3-yl)methanol is OC(c1cc(Cl)cc(Cl)c1)C1CCOC1.
What is the InChIKey of (3,5-dichlorophenyl)-(oxolan-3-yl)methanol?
The InChIKey is NEVJVGMPOKMOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O2/c12-9-3-8(4-10(13)5-9)11(14)7-1-2-15-6-7/h3-5,7,11,14H,1-2,6H2.
What are the key properties of (3,5-dichlorophenyl)-(oxolan-3-yl)methanol?
(3,5-dichlorophenyl)-(oxolan-3-yl)methanol has a molecular weight of 247.12 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichlorophenyl)-(oxolan-3-yl)methanol is sourced from PubChem (CID 63899921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).