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

C15H16O2 — CID 117221818

IUPAC2-methyl-5-[(3-methylphenoxy)methyl]phenol
SMILESCc1cccc(OCc2ccc(C)c(O)c2)c1
InChIInChI=1S/C15H16O2/c1-11-4-3-5-14(8-11)17-10-13-7-6-12(2)15(16)9-13/h3-9,16H,10H2,1-2H3
InChIKeyHNUAJPAVEVBWFF-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.59
Rot. Bonds3

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

2-methyl-5-[(3-methylphenoxy)methyl]phenol (PubChem CID 117221818) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-methyl-5-[(3-methylphenoxy)methyl]phenol.

Molecular Properties

Compound Name2-methyl-5-[(3-methylphenoxy)methyl]phenol
PubChem CID117221818
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name2-methyl-5-[(3-methylphenoxy)methyl]phenol
SMILESCc1cccc(OCc2ccc(C)c(O)c2)c1
InChIInChI=1S/C15H16O2/c1-11-4-3-5-14(8-11)17-10-13-7-6-12(2)15(16)9-13/h3-9,16H,10H2,1-2H3
InChIKeyHNUAJPAVEVBWFF-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

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Related Compounds

4-[(3-methylphenoxy)methyl]benzene-1,2-diol
CID 117220373
5-[(3-bromophenoxy)methyl]-2-methylphenol
CID 117221825
2-bromo-1-methyl-4-[(3-methylphenoxy)methyl]benzene
CID 117221819
3-[(3-methylphenyl)methoxy]phenol
CID 39243397
1,3-dimethyl-5-[(3-methylphenoxy)methyl]benzene
CID 60644540
5-[(4-fluorophenoxy)methyl]-2-methylphenol
CID 117221915
4-[(3-methylphenoxy)methyl]aniline
CID 16789694
1-iodo-4-[(3-methylphenoxy)methyl]benzene
CID 65490135
2-methyl-5-(3-phenylmethoxyphenyl)phenol
CID 53219180
5-methyl-2-[(3-methylphenoxy)methyl]phenol
CID 117221129
N-methyl-1-[3-[(3-methylphenoxy)methyl]phenyl]methanamine
CID 55077028
pentafluoro-[4-[(3-methylphenoxy)methyl]phenyl]-λ6-sulfane
CID 177287975

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(3-methylphenoxy)methyl]phenol?
The IUPAC name of 2-methyl-5-[(3-methylphenoxy)methyl]phenol (CID 117221818) is 2-methyl-5-[(3-methylphenoxy)methyl]phenol.
What is the SMILES notation for 2-methyl-5-[(3-methylphenoxy)methyl]phenol?
The canonical SMILES for 2-methyl-5-[(3-methylphenoxy)methyl]phenol is Cc1cccc(OCc2ccc(C)c(O)c2)c1.
What is the InChIKey of 2-methyl-5-[(3-methylphenoxy)methyl]phenol?
The InChIKey is HNUAJPAVEVBWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-11-4-3-5-14(8-11)17-10-13-7-6-12(2)15(16)9-13/h3-9,16H,10H2,1-2H3.
What are the key properties of 2-methyl-5-[(3-methylphenoxy)methyl]phenol?
2-methyl-5-[(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 2-methyl-5-[(3-methylphenoxy)methyl]phenol is sourced from PubChem (CID 117221818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).