1-chloro-4-[4-(1-chloroethyl)phenoxy]-2-methylbenzene

C15H14Cl2O — CID 67952517

IUPAC1-chloro-4-[4-(1-chloroethyl)phenoxy]-2-methylbenzene
SMILESCc1cc(Oc2ccc(C(C)Cl)cc2)ccc1Cl
InChIInChI=1S/C15H14Cl2O/c1-10-9-14(7-8-15(10)17)18-13-5-3-12(4-6-13)11(2)16/h3-9,11H,1-2H3
InChIKeyHNDMWFARGUWZDZ-UHFFFAOYSA-N
MW281.18 g/mol
LogP5.74
Rot. Bonds3

About 1-chloro-4-[4-(1-chloroethyl)phenoxy]-2-methylbenzene

1-chloro-4-[4-(1-chloroethyl)phenoxy]-2-methylbenzene (PubChem CID 67952517) has the molecular formula C15H14Cl2O and a molecular weight of 281.18 g/mol. Its IUPAC name is 1-chloro-4-[4-(1-chloroethyl)phenoxy]-2-methylbenzene.

Molecular Properties

Compound Name1-chloro-4-[4-(1-chloroethyl)phenoxy]-2-methylbenzene
PubChem CID67952517
Molecular FormulaC15H14Cl2O
Molecular Weight281.18 g/mol
Exact Mass280.04
IUPAC Name1-chloro-4-[4-(1-chloroethyl)phenoxy]-2-methylbenzene
SMILESCc1cc(Oc2ccc(C(C)Cl)cc2)ccc1Cl
InChIInChI=1S/C15H14Cl2O/c1-10-9-14(7-8-15(10)17)18-13-5-3-12(4-6-13)11(2)16/h3-9,11H,1-2H3
InChIKeyHNDMWFARGUWZDZ-UHFFFAOYSA-N
XLogP5.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.18
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(1-chloroethyl)-4-phenoxybenzene
CID 18342950
N-[[4-(4-chloro-3-methylphenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63552535
1-[3-bromo-4-(4-chloro-3-methylphenoxy)phenyl]ethanol
CID 63539732
4-chloro-6-(4-chloro-3-methylphenoxy)-2-propan-2-ylpyrimidine
CID 80949504
2-methyl-4-(4-propan-2-ylphenoxy)benzenesulfonyl chloride
CID 43436473
1-chloro-4-methoxy-2-methylbenzene;ethane
CID 143988962
1-[2-(4-chloro-3-methylphenoxy)phenyl]ethanamine
CID 43094702
2-(4-chloro-3-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanamine
CID 63500552
(1R)-1-[4-(4-chloro-3-fluorophenoxy)phenyl]ethanamine
CID 79020482
(1S)-1-[4-(4-chloro-3-methylphenoxy)-3-nitrophenyl]ethanol
CID 78938640
1,4-di(propan-2-yl)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenyl)-4-propan-2-ylbenzene;1-propan-2-yl-4-(4-propan-2-ylphenoxy)benzene
CID 159090992
1-chloro-4-(2-methoxyphenoxy)-2-methylbenzene
CID 163498648

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[4-(1-chloroethyl)phenoxy]-2-methylbenzene?
The IUPAC name of 1-chloro-4-[4-(1-chloroethyl)phenoxy]-2-methylbenzene (CID 67952517) is 1-chloro-4-[4-(1-chloroethyl)phenoxy]-2-methylbenzene.
What is the SMILES notation for 1-chloro-4-[4-(1-chloroethyl)phenoxy]-2-methylbenzene?
The canonical SMILES for 1-chloro-4-[4-(1-chloroethyl)phenoxy]-2-methylbenzene is Cc1cc(Oc2ccc(C(C)Cl)cc2)ccc1Cl.
What is the InChIKey of 1-chloro-4-[4-(1-chloroethyl)phenoxy]-2-methylbenzene?
The InChIKey is HNDMWFARGUWZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2O/c1-10-9-14(7-8-15(10)17)18-13-5-3-12(4-6-13)11(2)16/h3-9,11H,1-2H3.
What are the key properties of 1-chloro-4-[4-(1-chloroethyl)phenoxy]-2-methylbenzene?
1-chloro-4-[4-(1-chloroethyl)phenoxy]-2-methylbenzene has a molecular weight of 281.18 g/mol, XLogP of 5.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[4-(1-chloroethyl)phenoxy]-2-methylbenzene is sourced from PubChem (CID 67952517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).