(3-chloro-2-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanone

C17H17ClO3 — CID 107101821

IUPAC(3-chloro-2-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanone
SMILESCOCCOc1ccccc1C(=O)c1cccc(Cl)c1C
InChIInChI=1S/C17H17ClO3/c1-12-13(7-5-8-15(12)18)17(19)14-6-3-4-9-16(14)21-11-10-20-2/h3-9H,10-11H2,1-2H3
InChIKeyXMFJKICVPPZMOU-UHFFFAOYSA-N
MW304.77 g/mol
LogP3.90
Rot. Bonds6

About (3-chloro-2-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanone

(3-chloro-2-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanone (PubChem CID 107101821) has the molecular formula C17H17ClO3 and a molecular weight of 304.77 g/mol. Its IUPAC name is (3-chloro-2-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanone.

Molecular Properties

Compound Name(3-chloro-2-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanone
PubChem CID107101821
Molecular FormulaC17H17ClO3
Molecular Weight304.77 g/mol
Exact Mass304.09
IUPAC Name(3-chloro-2-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanone
SMILESCOCCOc1ccccc1C(=O)c1cccc(Cl)c1C
InChIInChI=1S/C17H17ClO3/c1-12-13(7-5-8-15(12)18)17(19)14-6-3-4-9-16(14)21-11-10-20-2/h3-9H,10-11H2,1-2H3
InChIKeyXMFJKICVPPZMOU-UHFFFAOYSA-N
XLogP3.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 53.90
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

(3-chloro-2-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 103443277
(2-bromo-3-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 107984617
(4-bromo-3-chlorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 115799973
(3-chloro-2-methylphenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 107096172
1-[2-[2-(2,6-dichlorophenoxy)ethoxy]phenyl]ethanone
CID 60628001
(2,6-dimethyl-4-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 107502643
[2-(2-methoxyethoxy)phenyl]-(6-methyl-3-pyridinyl)methanone
CID 105128294
[2-(2-methoxyethoxy)phenyl]-(4-methyl-2-pyridinyl)methanone
CID 104659250
(3-iodophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 115799933
(2-amino-5-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 104659443
(3-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 104659113
(5-bromo-2-ethoxyphenyl)-(3-chloro-2-methylphenyl)methanone
CID 107096153

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanone?
The IUPAC name of (3-chloro-2-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanone (CID 107101821) is (3-chloro-2-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanone.
What is the SMILES notation for (3-chloro-2-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanone?
The canonical SMILES for (3-chloro-2-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanone is COCCOc1ccccc1C(=O)c1cccc(Cl)c1C.
What is the InChIKey of (3-chloro-2-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanone?
The InChIKey is XMFJKICVPPZMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO3/c1-12-13(7-5-8-15(12)18)17(19)14-6-3-4-9-16(14)21-11-10-20-2/h3-9H,10-11H2,1-2H3.
What are the key properties of (3-chloro-2-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanone?
(3-chloro-2-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanone has a molecular weight of 304.77 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanone is sourced from PubChem (CID 107101821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).