1-ethyl-2-[(3-methylphenoxy)methyl]benzene

C16H18O — CID 70995774

IUPAC1-ethyl-2-[(3-methylphenoxy)methyl]benzene
SMILESCCc1ccccc1COc1cccc(C)c1
InChIInChI=1S/C16H18O/c1-3-14-8-4-5-9-15(14)12-17-16-10-6-7-13(2)11-16/h4-11H,3,12H2,1-2H3
InChIKeyOGJVLTXJVKIQDD-UHFFFAOYSA-N
MW226.32 g/mol
LogP4.14
Rot. Bonds4

About 1-ethyl-2-[(3-methylphenoxy)methyl]benzene

1-ethyl-2-[(3-methylphenoxy)methyl]benzene (PubChem CID 70995774) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-ethyl-2-[(3-methylphenoxy)methyl]benzene.

Molecular Properties

Compound Name1-ethyl-2-[(3-methylphenoxy)methyl]benzene
PubChem CID70995774
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name1-ethyl-2-[(3-methylphenoxy)methyl]benzene
SMILESCCc1ccccc1COc1cccc(C)c1
InChIInChI=1S/C16H18O/c1-3-14-8-4-5-9-15(14)12-17-16-10-6-7-13(2)11-16/h4-11H,3,12H2,1-2H3
InChIKeyOGJVLTXJVKIQDD-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-2-[(3-methylphenoxy)methyl]benzene
CID 60627935
1,2-dichloro-3-[(3-methylphenoxy)methyl]benzene
CID 107310396
3-[2-[(3-methylphenoxy)methyl]phenyl]prop-2-enoic acid
CID 76908529
5-methyl-2-[(3-methylphenoxy)methyl]phenol
CID 117221129
1,2-dichloro-4-[(2-ethylphenyl)methoxy]benzene
CID 70995719
3-[(3-methylphenoxy)methyl]pyridin-2-amine
CID 62465645
1,3-dimethyl-5-[(3-methylphenoxy)methyl]benzene
CID 60644540
2-[[3-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline
CID 18727386
2-fluoro-1-[(3-methylphenoxy)methyl]-3-nitrobenzene
CID 107348619
N-methyl-2-[(3-methylphenoxy)methyl]-6-nitroaniline
CID 107352140
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
N-[[2-(ethoxymethyl)phenyl]methyl]-2-(3-methylphenoxy)acetamide
CID 37398686

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(3-methylphenoxy)methyl]benzene?
The IUPAC name of 1-ethyl-2-[(3-methylphenoxy)methyl]benzene (CID 70995774) is 1-ethyl-2-[(3-methylphenoxy)methyl]benzene.
What is the SMILES notation for 1-ethyl-2-[(3-methylphenoxy)methyl]benzene?
The canonical SMILES for 1-ethyl-2-[(3-methylphenoxy)methyl]benzene is CCc1ccccc1COc1cccc(C)c1.
What is the InChIKey of 1-ethyl-2-[(3-methylphenoxy)methyl]benzene?
The InChIKey is OGJVLTXJVKIQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O/c1-3-14-8-4-5-9-15(14)12-17-16-10-6-7-13(2)11-16/h4-11H,3,12H2,1-2H3.
What are the key properties of 1-ethyl-2-[(3-methylphenoxy)methyl]benzene?
1-ethyl-2-[(3-methylphenoxy)methyl]benzene has a molecular weight of 226.32 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(3-methylphenoxy)methyl]benzene is sourced from PubChem (CID 70995774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).