[4-[3-(2-chlorophenoxy)propoxy]phenyl]-phenylmethanone

C22H19ClO3 — CID 141062462

IUPAC[4-[3-(2-chlorophenoxy)propoxy]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(OCCCOc2ccccc2Cl)cc1
InChIInChI=1S/C22H19ClO3/c23-20-9-4-5-10-21(20)26-16-6-15-25-19-13-11-18(12-14-19)22(24)17-7-2-1-3-8-17/h1-5,7-14H,6,15-16H2
InChIKeyJPSIQQMKAWXJHG-UHFFFAOYSA-N
MW366.84 g/mol
LogP5.42
Rot. Bonds8

About [4-[3-(2-chlorophenoxy)propoxy]phenyl]-phenylmethanone

[4-[3-(2-chlorophenoxy)propoxy]phenyl]-phenylmethanone (PubChem CID 141062462) has the molecular formula C22H19ClO3 and a molecular weight of 366.84 g/mol. Its IUPAC name is [4-[3-(2-chlorophenoxy)propoxy]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[3-(2-chlorophenoxy)propoxy]phenyl]-phenylmethanone
PubChem CID141062462
Molecular FormulaC22H19ClO3
Molecular Weight366.84 g/mol
Exact Mass366.10
IUPAC Name[4-[3-(2-chlorophenoxy)propoxy]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(OCCCOc2ccccc2Cl)cc1
InChIInChI=1S/C22H19ClO3/c23-20-9-4-5-10-21(20)26-16-6-15-25-19-13-11-18(12-14-19)22(24)17-7-2-1-3-8-17/h1-5,7-14H,6,15-16H2
InChIKeyJPSIQQMKAWXJHG-UHFFFAOYSA-N
XLogP5.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.84
LogP ≤ 55.42
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-[2-(2-chlorophenoxy)ethoxy]phenyl]-(4-chlorophenyl)methanone
CID 7919222
[4-[8-(4-benzoylphenoxy)octoxy]phenyl]-phenylmethanone
CID 134886756
[4-[(2-chlorophenoxy)methyl]phenyl]-phenylmethanone
CID 1265675
(2S)-3-[4-[3-(4-benzoylphenoxy)propoxy]-3-chlorophenyl]-2-methoxypropanoate
CID 58822800
[4-[9-(dimethylamino)nonoxy]phenyl]-phenylmethanone
CID 19760990
[4-[2-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 175364335
2-(2-chlorophenoxy)ethyl 2-benzoylbenzoate
CID 7865480
[4-[2-(4-bromophenoxy)ethoxy]phenyl]-phenylmethanone
CID 7717760
[4-(2-aminooxyethoxy)phenyl]-phenylmethanone
CID 122389379
3-(2-chlorophenoxy)propyl acetate
CID 59706608
2-[3-(2-chlorophenoxy)propyl]propanedioic acid
CID 174289413
[4-[3-[3-[3-(4-benzoylphenoxy)propyl]-1-bicyclo[1.1.1]pentanyl]propoxy]phenyl]-phenylmethanone
CID 5250881

Frequently Asked Questions

What is the IUPAC name of [4-[3-(2-chlorophenoxy)propoxy]phenyl]-phenylmethanone?
The IUPAC name of [4-[3-(2-chlorophenoxy)propoxy]phenyl]-phenylmethanone (CID 141062462) is [4-[3-(2-chlorophenoxy)propoxy]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[3-(2-chlorophenoxy)propoxy]phenyl]-phenylmethanone?
The canonical SMILES for [4-[3-(2-chlorophenoxy)propoxy]phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccc(OCCCOc2ccccc2Cl)cc1.
What is the InChIKey of [4-[3-(2-chlorophenoxy)propoxy]phenyl]-phenylmethanone?
The InChIKey is JPSIQQMKAWXJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClO3/c23-20-9-4-5-10-21(20)26-16-6-15-25-19-13-11-18(12-14-19)22(24)17-7-2-1-3-8-17/h1-5,7-14H,6,15-16H2.
What are the key properties of [4-[3-(2-chlorophenoxy)propoxy]phenyl]-phenylmethanone?
[4-[3-(2-chlorophenoxy)propoxy]phenyl]-phenylmethanone has a molecular weight of 366.84 g/mol, XLogP of 5.42, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(2-chlorophenoxy)propoxy]phenyl]-phenylmethanone is sourced from PubChem (CID 141062462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).