2-[(3,5-dichlorophenyl)methyl]oxolane

C11H12Cl2O — CID 173052103

IUPAC2-[(3,5-dichlorophenyl)methyl]oxolane
SMILESClc1cc(Cl)cc(CC2CCCO2)c1
InChIInChI=1S/C11H12Cl2O/c12-9-4-8(5-10(13)7-9)6-11-2-1-3-14-11/h4-5,7,11H,1-3,6H2
InChIKeyIAGJPVCUTOXXNU-UHFFFAOYSA-N
MW231.12 g/mol
LogP3.71
Rot. Bonds2

About 2-[(3,5-dichlorophenyl)methyl]oxolane

2-[(3,5-dichlorophenyl)methyl]oxolane (PubChem CID 173052103) has the molecular formula C11H12Cl2O and a molecular weight of 231.12 g/mol. Its IUPAC name is 2-[(3,5-dichlorophenyl)methyl]oxolane.

Molecular Properties

Compound Name2-[(3,5-dichlorophenyl)methyl]oxolane
PubChem CID173052103
Molecular FormulaC11H12Cl2O
Molecular Weight231.12 g/mol
Exact Mass230.03
IUPAC Name2-[(3,5-dichlorophenyl)methyl]oxolane
SMILESClc1cc(Cl)cc(CC2CCCO2)c1
InChIInChI=1S/C11H12Cl2O/c12-9-4-8(5-10(13)7-9)6-11-2-1-3-14-11/h4-5,7,11H,1-3,6H2
InChIKeyIAGJPVCUTOXXNU-UHFFFAOYSA-N
XLogP3.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.12
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-5-(oxan-2-ylmethyl)pyridine
CID 57321336
N-[(3,5-dichlorophenyl)methyl]-1-(oxan-2-yl)methanamine
CID 55014706
[4-(oxolan-2-ylmethyl)phenyl]methanamine
CID 174382096
1-(3,5-dichlorophenyl)-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 8658316
1-[2-(3,5-dichlorophenyl)ethyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 111137233
N-[(3,5-dichlorophenyl)methyl]-4-(oxolan-2-ylmethoxy)aniline
CID 46736285
2-benzyloxepane
CID 14272917
1-(3,5-dichlorophenyl)-3-(oxolan-2-ylmethyl)urea
CID 6466967
2-[(3-methoxyphenyl)methyl]oxolane
CID 10607780
2-[(4-chloro-3-methylphenyl)methyl]oxane;formic acid
CID 142212155
1-(3,5-dichlorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61431124
N-[(4-chlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 787812

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichlorophenyl)methyl]oxolane?
The IUPAC name of 2-[(3,5-dichlorophenyl)methyl]oxolane (CID 173052103) is 2-[(3,5-dichlorophenyl)methyl]oxolane.
What is the SMILES notation for 2-[(3,5-dichlorophenyl)methyl]oxolane?
The canonical SMILES for 2-[(3,5-dichlorophenyl)methyl]oxolane is Clc1cc(Cl)cc(CC2CCCO2)c1.
What is the InChIKey of 2-[(3,5-dichlorophenyl)methyl]oxolane?
The InChIKey is IAGJPVCUTOXXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O/c12-9-4-8(5-10(13)7-9)6-11-2-1-3-14-11/h4-5,7,11H,1-3,6H2.
What are the key properties of 2-[(3,5-dichlorophenyl)methyl]oxolane?
2-[(3,5-dichlorophenyl)methyl]oxolane has a molecular weight of 231.12 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichlorophenyl)methyl]oxolane is sourced from PubChem (CID 173052103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).