5-methyl-2-[(3-methylphenoxy)methyl]phenol

C15H16O2 — CID 117221129

IUPAC5-methyl-2-[(3-methylphenoxy)methyl]phenol
SMILESCc1cccc(OCc2ccc(C)cc2O)c1
InChIInChI=1S/C15H16O2/c1-11-4-3-5-14(8-11)17-10-13-7-6-12(2)9-15(13)16/h3-9,16H,10H2,1-2H3
InChIKeyNYMQSEJPPZLLHI-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.59
Rot. Bonds3

About 5-methyl-2-[(3-methylphenoxy)methyl]phenol

5-methyl-2-[(3-methylphenoxy)methyl]phenol (PubChem CID 117221129) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 5-methyl-2-[(3-methylphenoxy)methyl]phenol.

Molecular Properties

Compound Name5-methyl-2-[(3-methylphenoxy)methyl]phenol
PubChem CID117221129
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name5-methyl-2-[(3-methylphenoxy)methyl]phenol
SMILESCc1cccc(OCc2ccc(C)cc2O)c1
InChIInChI=1S/C15H16O2/c1-11-4-3-5-14(8-11)17-10-13-7-6-12(2)9-15(13)16/h3-9,16H,10H2,1-2H3
InChIKeyNYMQSEJPPZLLHI-UHFFFAOYSA-N
XLogP3.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-methyl-2-[(3-methylphenoxy)methyl]phenol 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

2-[(3-hydroxyphenoxy)methyl]-5-methylphenol
CID 117221141
3-hydroxy-4-[(3-methylphenoxy)methyl]benzoic acid
CID 117219662
2-[(4-bromophenoxy)methyl]-5-methylphenol
CID 117221239
1-methyl-2-[(3-methylphenoxy)methyl]benzene
CID 60627935
1-ethyl-2-[(3-methylphenoxy)methyl]benzene
CID 70995774
4-[(3-methylphenoxy)methyl]benzene-1,2-diol
CID 117220373
1,3-dimethyl-5-[(3-methylphenoxy)methyl]benzene
CID 60644540
1-methyl-3-[(3-methylphenoxy)methyl]indol-7-ol
CID 117181915
5-methoxy-2-[(4-methylphenoxy)methyl]phenol
CID 117221283
2-(hydroperoxymethyl)-5-methylphenol
CID 21351355
2-methyl-5-[(3-methylphenoxy)methyl]phenol
CID 117221818
2-[(2-bromophenoxy)methyl]-5-methylphenol
CID 117221024

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(3-methylphenoxy)methyl]phenol?
The IUPAC name of 5-methyl-2-[(3-methylphenoxy)methyl]phenol (CID 117221129) is 5-methyl-2-[(3-methylphenoxy)methyl]phenol.
What is the SMILES notation for 5-methyl-2-[(3-methylphenoxy)methyl]phenol?
The canonical SMILES for 5-methyl-2-[(3-methylphenoxy)methyl]phenol is Cc1cccc(OCc2ccc(C)cc2O)c1.
What is the InChIKey of 5-methyl-2-[(3-methylphenoxy)methyl]phenol?
The InChIKey is NYMQSEJPPZLLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-11-4-3-5-14(8-11)17-10-13-7-6-12(2)9-15(13)16/h3-9,16H,10H2,1-2H3.
What are the key properties of 5-methyl-2-[(3-methylphenoxy)methyl]phenol?
5-methyl-2-[(3-methylphenoxy)methyl]phenol has a molecular weight of 228.29 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(3-methylphenoxy)methyl]phenol is sourced from PubChem (CID 117221129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).