1-chloro-3-(3-methylphenoxy)benzene;ethane

C15H17ClO — CID 153343625

IUPAC1-chloro-3-(3-methylphenoxy)benzene;ethane
SMILESCC.Cc1cccc(Oc2cccc(Cl)c2)c1
InChIInChI=1S/C13H11ClO.C2H6/c1-10-4-2-6-12(8-10)15-13-7-3-5-11(14)9-13;1-2/h2-9H,1H3;1-2H3
InChIKeyDZIBXKVPYHIXQC-UHFFFAOYSA-N
MW248.75 g/mol
LogP5.47
Rot. Bonds2

About 1-chloro-3-(3-methylphenoxy)benzene;ethane

1-chloro-3-(3-methylphenoxy)benzene;ethane (PubChem CID 153343625) has the molecular formula C15H17ClO and a molecular weight of 248.75 g/mol. Its IUPAC name is 1-chloro-3-(3-methylphenoxy)benzene;ethane.

Molecular Properties

Compound Name1-chloro-3-(3-methylphenoxy)benzene;ethane
PubChem CID153343625
Molecular FormulaC15H17ClO
Molecular Weight248.75 g/mol
Exact Mass248.10
IUPAC Name1-chloro-3-(3-methylphenoxy)benzene;ethane
SMILESCC.Cc1cccc(Oc2cccc(Cl)c2)c1
InChIInChI=1S/C13H11ClO.C2H6/c1-10-4-2-6-12(8-10)15-13-7-3-5-11(14)9-13;1-2/h2-9H,1H3;1-2H3
InChIKeyDZIBXKVPYHIXQC-UHFFFAOYSA-N
XLogP5.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.75
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-4-(3-methylphenoxy)benzene;yttrium
CID 159299201
tris(1-chloro-3-methylbenzene);ethane
CID 143147725
1-chloro-3-methylbenzene;ethane
CID 123907748
4-(3-chlorophenoxy)-1,2-dimethylbenzene
CID 70594513
1-chloro-2-(3-chlorophenoxy)-4-methylbenzene
CID 170985153
1-methyl-3-phenoxybenzene;hydrochloride
CID 175116002
1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]phenoxy]benzene
CID 22967305
2-chloro-4-(3-methylphenoxy)aniline
CID 106701509
1-chloro-2-fluoro-4-(3-methylphenoxy)benzene
CID 91481927
1-chloro-4-methyl-2-(3-methylphenoxy)benzene
CID 54166558
6-chloro-2,3-bis(3-methylphenoxy)naphthalene-1,4-dione
CID 23038640
2-(3-chlorophenoxy)-4-methylbenzoic acid
CID 55107381

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(3-methylphenoxy)benzene;ethane?
The IUPAC name of 1-chloro-3-(3-methylphenoxy)benzene;ethane (CID 153343625) is 1-chloro-3-(3-methylphenoxy)benzene;ethane.
What is the SMILES notation for 1-chloro-3-(3-methylphenoxy)benzene;ethane?
The canonical SMILES for 1-chloro-3-(3-methylphenoxy)benzene;ethane is CC.Cc1cccc(Oc2cccc(Cl)c2)c1.
What is the InChIKey of 1-chloro-3-(3-methylphenoxy)benzene;ethane?
The InChIKey is DZIBXKVPYHIXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO.C2H6/c1-10-4-2-6-12(8-10)15-13-7-3-5-11(14)9-13;1-2/h2-9H,1H3;1-2H3.
What are the key properties of 1-chloro-3-(3-methylphenoxy)benzene;ethane?
1-chloro-3-(3-methylphenoxy)benzene;ethane has a molecular weight of 248.75 g/mol, XLogP of 5.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(3-methylphenoxy)benzene;ethane is sourced from PubChem (CID 153343625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).