2-[5-chloro-2-[(2,5-dimethylphenoxy)methyl]phenyl]-1,3-dioxolane

C18H19ClO3 — CID 123951615

IUPAC2-[5-chloro-2-[(2,5-dimethylphenoxy)methyl]phenyl]-1,3-dioxolane
SMILESCc1ccc(C)c(OCc2ccc(Cl)cc2C2OCCO2)c1
InChIInChI=1S/C18H19ClO3/c1-12-3-4-13(2)17(9-12)22-11-14-5-6-15(19)10-16(14)18-20-7-8-21-18/h3-6,9-10,18H,7-8,11H2,1-2H3
InChIKeyDNXYMKANDBYXSG-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.58
Rot. Bonds4

About 2-[5-chloro-2-[(2,5-dimethylphenoxy)methyl]phenyl]-1,3-dioxolane

2-[5-chloro-2-[(2,5-dimethylphenoxy)methyl]phenyl]-1,3-dioxolane (PubChem CID 123951615) has the molecular formula C18H19ClO3 and a molecular weight of 318.80 g/mol. Its IUPAC name is 2-[5-chloro-2-[(2,5-dimethylphenoxy)methyl]phenyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[5-chloro-2-[(2,5-dimethylphenoxy)methyl]phenyl]-1,3-dioxolane
PubChem CID123951615
Molecular FormulaC18H19ClO3
Molecular Weight318.80 g/mol
Exact Mass318.10
IUPAC Name2-[5-chloro-2-[(2,5-dimethylphenoxy)methyl]phenyl]-1,3-dioxolane
SMILESCc1ccc(C)c(OCc2ccc(Cl)cc2C2OCCO2)c1
InChIInChI=1S/C18H19ClO3/c1-12-3-4-13(2)17(9-12)22-11-14-5-6-15(19)10-16(14)18-20-7-8-21-18/h3-6,9-10,18H,7-8,11H2,1-2H3
InChIKeyDNXYMKANDBYXSG-UHFFFAOYSA-N
XLogP4.58
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[(2,5-dimethylphenoxy)methyl]aniline
CID 79582976
4-chloro-2-[(2,5-dimethylphenoxy)methyl]benzaldehyde
CID 87257562
5-chloro-2-[(2,4-dimethylphenyl)methoxy]aniline
CID 82133164
(2S)-2-[(2,5-dimethylphenoxy)methyl]oxolane
CID 97170620
2-[(2,5-dimethylphenoxy)methyl]oxolane
CID 71627927
1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-(1,3-dioxolan-2-yl)-N-methoxymethanimine
CID 54072231
1-[2-[(2,4-dichlorophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
CID 63486921
[5-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]methanol
CID 61482150
3-[(4-chloro-2-fluorophenyl)methoxy]-4-methylaniline
CID 114847555
N-[[2-[(2,5-dimethylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62452512
2-(cyclopropylmethoxy)-1,4-dimethylbenzene
CID 160770501
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
CID 126118745

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-[(2,5-dimethylphenoxy)methyl]phenyl]-1,3-dioxolane?
The IUPAC name of 2-[5-chloro-2-[(2,5-dimethylphenoxy)methyl]phenyl]-1,3-dioxolane (CID 123951615) is 2-[5-chloro-2-[(2,5-dimethylphenoxy)methyl]phenyl]-1,3-dioxolane.
What is the SMILES notation for 2-[5-chloro-2-[(2,5-dimethylphenoxy)methyl]phenyl]-1,3-dioxolane?
The canonical SMILES for 2-[5-chloro-2-[(2,5-dimethylphenoxy)methyl]phenyl]-1,3-dioxolane is Cc1ccc(C)c(OCc2ccc(Cl)cc2C2OCCO2)c1.
What is the InChIKey of 2-[5-chloro-2-[(2,5-dimethylphenoxy)methyl]phenyl]-1,3-dioxolane?
The InChIKey is DNXYMKANDBYXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO3/c1-12-3-4-13(2)17(9-12)22-11-14-5-6-15(19)10-16(14)18-20-7-8-21-18/h3-6,9-10,18H,7-8,11H2,1-2H3.
What are the key properties of 2-[5-chloro-2-[(2,5-dimethylphenoxy)methyl]phenyl]-1,3-dioxolane?
2-[5-chloro-2-[(2,5-dimethylphenoxy)methyl]phenyl]-1,3-dioxolane has a molecular weight of 318.80 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-[(2,5-dimethylphenoxy)methyl]phenyl]-1,3-dioxolane is sourced from PubChem (CID 123951615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).