1,3-dimethyl-5-(phenoxymethyl)benzene

C15H16O — CID 20649368

IUPAC1,3-dimethyl-5-(phenoxymethyl)benzene
SMILESCc1cc(C)cc(COc2ccccc2)c1
InChIInChI=1S/C15H16O/c1-12-8-13(2)10-14(9-12)11-16-15-6-4-3-5-7-15/h3-10H,11H2,1-2H3
InChIKeyAPGHYWGZHNDKQG-UHFFFAOYSA-N
MW212.29 g/mol
LogP3.88
Rot. Bonds3

About 1,3-dimethyl-5-(phenoxymethyl)benzene

1,3-dimethyl-5-(phenoxymethyl)benzene (PubChem CID 20649368) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is 1,3-dimethyl-5-(phenoxymethyl)benzene.

Molecular Properties

Compound Name1,3-dimethyl-5-(phenoxymethyl)benzene
PubChem CID20649368
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name1,3-dimethyl-5-(phenoxymethyl)benzene
SMILESCc1cc(C)cc(COc2ccccc2)c1
InChIInChI=1S/C15H16O/c1-12-8-13(2)10-14(9-12)11-16-15-6-4-3-5-7-15/h3-10H,11H2,1-2H3
InChIKeyAPGHYWGZHNDKQG-UHFFFAOYSA-N
XLogP3.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,3-dimethyl-5-(phenoxymethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-dimethyl-5-[(3-methylphenoxy)methyl]benzene
CID 60644540
3-[(3,5-dimethylphenyl)methoxy]aniline
CID 54909105
1-[(4-iodophenoxy)methyl]-3,5-dimethylbenzene
CID 60644543
1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene
CID 102395902
3-(3,5-dimethylphenyl)-5-(phenoxymethyl)pyridine
CID 46044387
1,3-bis[(3,5-diphenoxyphenyl)methoxy]-5-methylbenzene;carbanide;tungsten
CID 158286848
1-[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-3-[[3-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-5-[[3-[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-[(3-methyl-5-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]-5-(bromomethyl)benzene
CID 58661558
[3-[(3,5-dimethylphenyl)methoxy]phenyl]boronic acid
CID 54911074
[3-methyl-5-[3-(phenoxymethyl)phenyl]phenyl]methanamine
CID 141438033
2,6-diethyl-4-(phenoxymethyl)pyridine
CID 91150139
(1S)-1-[4-[(3,5-dimethylphenyl)methoxy]phenyl]ethanol
CID 78930281
(1S)-1-[4-[(3,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 78933049

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(phenoxymethyl)benzene?
The IUPAC name of 1,3-dimethyl-5-(phenoxymethyl)benzene (CID 20649368) is 1,3-dimethyl-5-(phenoxymethyl)benzene.
What is the SMILES notation for 1,3-dimethyl-5-(phenoxymethyl)benzene?
The canonical SMILES for 1,3-dimethyl-5-(phenoxymethyl)benzene is Cc1cc(C)cc(COc2ccccc2)c1.
What is the InChIKey of 1,3-dimethyl-5-(phenoxymethyl)benzene?
The InChIKey is APGHYWGZHNDKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O/c1-12-8-13(2)10-14(9-12)11-16-15-6-4-3-5-7-15/h3-10H,11H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-(phenoxymethyl)benzene?
1,3-dimethyl-5-(phenoxymethyl)benzene has a molecular weight of 212.29 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(phenoxymethyl)benzene is sourced from PubChem (CID 20649368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).