[4-[2-(2-chlorophenoxy)ethoxy]phenyl]-(4-chlorophenyl)methanone

C21H16Cl2O3 — CID 7919222

IUPAC[4-[2-(2-chlorophenoxy)ethoxy]phenyl]-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc(OCCOc2ccccc2Cl)cc1
InChIInChI=1S/C21H16Cl2O3/c22-17-9-5-15(6-10-17)21(24)16-7-11-18(12-8-16)25-13-14-26-20-4-2-1-3-19(20)23/h1-12H,13-14H2
InChIKeyMTNXIHTUULUMRC-UHFFFAOYSA-N
MW387.26 g/mol
LogP5.68
Rot. Bonds7

About [4-[2-(2-chlorophenoxy)ethoxy]phenyl]-(4-chlorophenyl)methanone

[4-[2-(2-chlorophenoxy)ethoxy]phenyl]-(4-chlorophenyl)methanone (PubChem CID 7919222) has the molecular formula C21H16Cl2O3 and a molecular weight of 387.26 g/mol. Its IUPAC name is [4-[2-(2-chlorophenoxy)ethoxy]phenyl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[4-[2-(2-chlorophenoxy)ethoxy]phenyl]-(4-chlorophenyl)methanone
PubChem CID7919222
Molecular FormulaC21H16Cl2O3
Molecular Weight387.26 g/mol
Exact Mass386.05
IUPAC Name[4-[2-(2-chlorophenoxy)ethoxy]phenyl]-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc(OCCOc2ccccc2Cl)cc1
InChIInChI=1S/C21H16Cl2O3/c22-17-9-5-15(6-10-17)21(24)16-7-11-18(12-8-16)25-13-14-26-20-4-2-1-3-19(20)23/h1-12H,13-14H2
InChIKeyMTNXIHTUULUMRC-UHFFFAOYSA-N
XLogP5.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.26
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[3-(2-chlorophenoxy)propoxy]phenyl]-phenylmethanone
CID 141062462
(4-chlorophenyl)-[4-(3-hydroxypropoxy)phenyl]methanone
CID 70878263
2-(4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide
CID 3372388
[4-[(2-chlorophenoxy)methyl]phenyl]-phenylmethanone
CID 1265675
bis[2-(2-chlorophenoxy)ethyl] oxalate
CID 68775442
[4-[2-[[2-[4-(4-chlorobenzoyl)phenoxy]phenyl]methyl]phenoxy]phenyl]-(4-chlorophenyl)methanone
CID 58607338
dimethyl 5-[2-(2-chlorophenoxy)ethoxy]benzene-1,3-dicarboxylate
CID 17391117
3-[2-[2-(4-chlorophenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 20994228
[4-[8-(4-benzoylphenoxy)octoxy]phenyl]-phenylmethanone
CID 134886756
(4-chlorophenyl)-(2-propoxyphenyl)methanone
CID 104659114
2-(2-chlorophenoxy)ethyl 2-benzoylbenzoate
CID 7865480
[4-[2-(4-bromophenoxy)ethoxy]phenyl]-phenylmethanone
CID 7717760

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-chlorophenoxy)ethoxy]phenyl]-(4-chlorophenyl)methanone?
The IUPAC name of [4-[2-(2-chlorophenoxy)ethoxy]phenyl]-(4-chlorophenyl)methanone (CID 7919222) is [4-[2-(2-chlorophenoxy)ethoxy]phenyl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [4-[2-(2-chlorophenoxy)ethoxy]phenyl]-(4-chlorophenyl)methanone?
The canonical SMILES for [4-[2-(2-chlorophenoxy)ethoxy]phenyl]-(4-chlorophenyl)methanone is O=C(c1ccc(Cl)cc1)c1ccc(OCCOc2ccccc2Cl)cc1.
What is the InChIKey of [4-[2-(2-chlorophenoxy)ethoxy]phenyl]-(4-chlorophenyl)methanone?
The InChIKey is MTNXIHTUULUMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2O3/c22-17-9-5-15(6-10-17)21(24)16-7-11-18(12-8-16)25-13-14-26-20-4-2-1-3-19(20)23/h1-12H,13-14H2.
What are the key properties of [4-[2-(2-chlorophenoxy)ethoxy]phenyl]-(4-chlorophenyl)methanone?
[4-[2-(2-chlorophenoxy)ethoxy]phenyl]-(4-chlorophenyl)methanone has a molecular weight of 387.26 g/mol, XLogP of 5.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-chlorophenoxy)ethoxy]phenyl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 7919222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).