1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanone

C17H17ClO2 — CID 106863595

IUPAC1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanone
SMILESCC(=O)c1cc(C)ccc1OCc1ccc(C)cc1Cl
InChIInChI=1S/C17H17ClO2/c1-11-5-7-17(15(8-11)13(3)19)20-10-14-6-4-12(2)9-16(14)18/h4-9H,10H2,1-3H3
InChIKeyWDYDNGFGGDMFMH-UHFFFAOYSA-N
MW288.77 g/mol
LogP4.74
Rot. Bonds4

About 1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanone

1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanone (PubChem CID 106863595) has the molecular formula C17H17ClO2 and a molecular weight of 288.77 g/mol. Its IUPAC name is 1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanone
PubChem CID106863595
Molecular FormulaC17H17ClO2
Molecular Weight288.77 g/mol
Exact Mass288.09
IUPAC Name1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanone
SMILESCC(=O)c1cc(C)ccc1OCc1ccc(C)cc1Cl
InChIInChI=1S/C17H17ClO2/c1-11-5-7-17(15(8-11)13(3)19)20-10-14-6-4-12(2)9-16(14)18/h4-9H,10H2,1-3H3
InChIKeyWDYDNGFGGDMFMH-UHFFFAOYSA-N
XLogP4.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanone
CID 106863598
2-[(2-chloro-4-methylphenyl)methoxy]-4-methylbenzoic acid
CID 106861515
2-[(2-chloro-4-methylphenyl)methoxy]-5-methylaniline
CID 106861432
(NZ)-N-[1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-fluorophenyl]ethylidene]hydroxylamine
CID 106863983
4-amino-2-[(2-chloro-4-methylphenyl)methoxy]benzamide
CID 106955508
1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanol
CID 106864318
2-chloro-1-[(2-ethylphenoxy)methyl]-4-methylbenzene
CID 106870271
2-[(2-chloro-4-methylphenyl)methoxy]-4-methylaniline
CID 106861414
4-[(2-acetyl-4-chlorophenoxy)methyl]-7-methylchromen-2-one
CID 3491002
(E)-3-[3-[(2-acetyl-4-methylphenoxy)methyl]-4-methoxyphenyl]prop-2-enoic acid
CID 6033497
3-[3-[(2-acetyl-4-methylphenoxy)methyl]-4-methoxyphenyl]prop-2-enoic acid
CID 4194844
1-[5-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanone
CID 43394142

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanone?
The IUPAC name of 1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanone (CID 106863595) is 1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanone.
What is the SMILES notation for 1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanone?
The canonical SMILES for 1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanone is CC(=O)c1cc(C)ccc1OCc1ccc(C)cc1Cl.
What is the InChIKey of 1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanone?
The InChIKey is WDYDNGFGGDMFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO2/c1-11-5-7-17(15(8-11)13(3)19)20-10-14-6-4-12(2)9-16(14)18/h4-9H,10H2,1-3H3.
What are the key properties of 1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanone?
1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanone has a molecular weight of 288.77 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanone is sourced from PubChem (CID 106863595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).