(4R)-2-[(3,5-dichlorophenyl)methoxy]-4-methyloxolane

C12H14Cl2O2 — CID 155795666

IUPAC(4R)-2-[(3,5-dichlorophenyl)methoxy]-4-methyloxolane
SMILESC[C@H]1COC(OCc2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C12H14Cl2O2/c1-8-2-12(15-6-8)16-7-9-3-10(13)5-11(14)4-9/h3-5,8,12H,2,6-7H2,1H3/t8-,12?/m1/s1
InChIKeyHTIKILAWZKMGDT-SZSXPDSJSA-N
MW261.15 g/mol
LogP3.89
Rot. Bonds3

About (4R)-2-[(3,5-dichlorophenyl)methoxy]-4-methyloxolane

(4R)-2-[(3,5-dichlorophenyl)methoxy]-4-methyloxolane (PubChem CID 155795666) has the molecular formula C12H14Cl2O2 and a molecular weight of 261.15 g/mol. Its IUPAC name is (4R)-2-[(3,5-dichlorophenyl)methoxy]-4-methyloxolane.

Molecular Properties

Compound Name(4R)-2-[(3,5-dichlorophenyl)methoxy]-4-methyloxolane
PubChem CID155795666
Molecular FormulaC12H14Cl2O2
Molecular Weight261.15 g/mol
Exact Mass260.04
IUPAC Name(4R)-2-[(3,5-dichlorophenyl)methoxy]-4-methyloxolane
SMILESC[C@H]1COC(OCc2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C12H14Cl2O2/c1-8-2-12(15-6-8)16-7-9-3-10(13)5-11(14)4-9/h3-5,8,12H,2,6-7H2,1H3/t8-,12?/m1/s1
InChIKeyHTIKILAWZKMGDT-SZSXPDSJSA-N
XLogP3.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Chlorophenyl)-1,3-dioxolane
CID 305775
4-Chlorobenzaldehyde dimethyl acetal
CID 520661
2-Chlorobenzaldehyde ethylene ketal
CID 4054551
1-Chloro-4-(diethoxymethyl)benzene
CID 326160
1-Chloro-3-(trimethoxymethyl)benzene
CID 61803212
2-(2,4-Dichlorophenyl)-1,3-dioxolane
CID 228659
1-Chloro-2-(diethoxymethyl)benzene
CID 598076
[Acetyloxy-(2,4-dichlorophenyl)methyl] acetate
CID 676879
2-(3-Chlorophenyl)-1,3-dioxolane
CID 12363681
1,3-Dichloro-2-(diethoxymethyl)benzene
CID 294139
Acetic acid, (3,5-dichlorophenyl)methyl ester
CID 57718431
Formic acid, (3,5-dichlorophenyl)methyl ester
CID 87071318

Frequently Asked Questions

What is the IUPAC name of (4R)-2-[(3,5-dichlorophenyl)methoxy]-4-methyloxolane?
The IUPAC name of (4R)-2-[(3,5-dichlorophenyl)methoxy]-4-methyloxolane (CID 155795666) is (4R)-2-[(3,5-dichlorophenyl)methoxy]-4-methyloxolane.
What is the SMILES notation for (4R)-2-[(3,5-dichlorophenyl)methoxy]-4-methyloxolane?
The canonical SMILES for (4R)-2-[(3,5-dichlorophenyl)methoxy]-4-methyloxolane is C[C@H]1COC(OCc2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of (4R)-2-[(3,5-dichlorophenyl)methoxy]-4-methyloxolane?
The InChIKey is HTIKILAWZKMGDT-SZSXPDSJSA-N. The full InChI is InChI=1S/C12H14Cl2O2/c1-8-2-12(15-6-8)16-7-9-3-10(13)5-11(14)4-9/h3-5,8,12H,2,6-7H2,1H3/t8-,12?/m1/s1.
What are the key properties of (4R)-2-[(3,5-dichlorophenyl)methoxy]-4-methyloxolane?
(4R)-2-[(3,5-dichlorophenyl)methoxy]-4-methyloxolane has a molecular weight of 261.15 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-[(3,5-dichlorophenyl)methoxy]-4-methyloxolane is sourced from PubChem (CID 155795666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).