1-[2-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]ethanone

C18H20O2 — CID 82092575

IUPAC1-[2-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]ethanone
SMILESCC(=O)c1cccc(C)c1OCc1cc(C)ccc1C
InChIInChI=1S/C18H20O2/c1-12-8-9-13(2)16(10-12)11-20-18-14(3)6-5-7-17(18)15(4)19/h5-10H,11H2,1-4H3
InChIKeyCRLLYYOFWBMYNB-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.39
Rot. Bonds4

About 1-[2-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]ethanone

1-[2-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]ethanone (PubChem CID 82092575) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[2-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]ethanone
PubChem CID82092575
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name1-[2-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]ethanone
SMILESCC(=O)c1cccc(C)c1OCc1cc(C)ccc1C
InChIInChI=1S/C18H20O2/c1-12-8-9-13(2)16(10-12)11-20-18-14(3)6-5-7-17(18)15(4)19/h5-10H,11H2,1-4H3
InChIKeyCRLLYYOFWBMYNB-UHFFFAOYSA-N
XLogP4.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-[(2,5-dimethylphenyl)methoxy]benzoic acid
CID 115955919
2-[(5-fluoro-2-methylphenyl)methoxy]-3-methylbenzoic acid
CID 105369808
1-(2-ethoxy-3-methylphenyl)ethanone
CID 82074964
N-[[2-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]methyl]ethanamine
CID 115952657
1-[4-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]ethanone
CID 82092576
N-[3-[(2,5-dimethylphenyl)methoxy]phenyl]acetamide
CID 7698442
1-(5-methylnaphthalen-1-yl)ethanone
CID 15563480
1,4-dimethyl-2-[(2-methylphenoxy)methyl]benzene
CID 60627928
2-[(3,5-dimethylphenyl)methoxy]-3-methylbenzoic acid
CID 60911444
methyl 2-[[3-[(2,5-dimethylphenyl)methoxy]phenoxy]methyl]-6-methylbenzoate
CID 22241250
1-[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]ethanone
CID 83952506
1-(6-methylnaphthalen-1-yl)ethanone
CID 15563484

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]ethanone?
The IUPAC name of 1-[2-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]ethanone (CID 82092575) is 1-[2-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]ethanone.
What is the SMILES notation for 1-[2-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]ethanone?
The canonical SMILES for 1-[2-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]ethanone is CC(=O)c1cccc(C)c1OCc1cc(C)ccc1C.
What is the InChIKey of 1-[2-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]ethanone?
The InChIKey is CRLLYYOFWBMYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-12-8-9-13(2)16(10-12)11-20-18-14(3)6-5-7-17(18)15(4)19/h5-10H,11H2,1-4H3.
What are the key properties of 1-[2-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]ethanone?
1-[2-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]ethanone has a molecular weight of 268.36 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]ethanone is sourced from PubChem (CID 82092575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).