2-[(3-hydroxyphenoxy)methyl]-5-methylphenol

C14H14O3 — CID 117221141

IUPAC2-[(3-hydroxyphenoxy)methyl]-5-methylphenol
SMILESCc1ccc(COc2cccc(O)c2)c(O)c1
InChIInChI=1S/C14H14O3/c1-10-5-6-11(14(16)7-10)9-17-13-4-2-3-12(15)8-13/h2-8,15-16H,9H2,1H3
InChIKeyRYZNWFVHRPLRKK-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.99
Rot. Bonds3

About 2-[(3-hydroxyphenoxy)methyl]-5-methylphenol

2-[(3-hydroxyphenoxy)methyl]-5-methylphenol (PubChem CID 117221141) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-[(3-hydroxyphenoxy)methyl]-5-methylphenol.

Molecular Properties

Compound Name2-[(3-hydroxyphenoxy)methyl]-5-methylphenol
PubChem CID117221141
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name2-[(3-hydroxyphenoxy)methyl]-5-methylphenol
SMILESCc1ccc(COc2cccc(O)c2)c(O)c1
InChIInChI=1S/C14H14O3/c1-10-5-6-11(14(16)7-10)9-17-13-4-2-3-12(15)8-13/h2-8,15-16H,9H2,1H3
InChIKeyRYZNWFVHRPLRKK-UHFFFAOYSA-N
XLogP2.99
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-[(3-methylphenoxy)methyl]phenol
CID 117221129
3-[(2-methoxy-5-methylphenyl)methoxy]phenol
CID 62159960
2-[(4-bromophenoxy)methyl]-5-methylphenol
CID 117221239
2-[(3-hydroxyphenoxy)methyl]-5-(trifluoromethyl)phenol
CID 117221115
3-hydroxy-4-[(3-methylphenoxy)methyl]benzoic acid
CID 117219662
3-[(3-methylphenyl)methoxy]phenol
CID 39243397
3-[(1,5-dimethylindol-3-yl)methoxy]phenol
CID 117185130
3-chloro-4-[(3-hydroxyphenoxy)methyl]phenol
CID 117219618
5-methoxy-2-[(4-methylphenoxy)methyl]phenol
CID 117221283
2-(hydroperoxymethyl)-5-methylphenol
CID 21351355
3-[(2,3-difluorophenyl)methoxy]phenol
CID 43659030
2-[(3-fluorophenoxy)methyl]-5-methoxyphenol
CID 117221189

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxyphenoxy)methyl]-5-methylphenol?
The IUPAC name of 2-[(3-hydroxyphenoxy)methyl]-5-methylphenol (CID 117221141) is 2-[(3-hydroxyphenoxy)methyl]-5-methylphenol.
What is the SMILES notation for 2-[(3-hydroxyphenoxy)methyl]-5-methylphenol?
The canonical SMILES for 2-[(3-hydroxyphenoxy)methyl]-5-methylphenol is Cc1ccc(COc2cccc(O)c2)c(O)c1.
What is the InChIKey of 2-[(3-hydroxyphenoxy)methyl]-5-methylphenol?
The InChIKey is RYZNWFVHRPLRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-10-5-6-11(14(16)7-10)9-17-13-4-2-3-12(15)8-13/h2-8,15-16H,9H2,1H3.
What are the key properties of 2-[(3-hydroxyphenoxy)methyl]-5-methylphenol?
2-[(3-hydroxyphenoxy)methyl]-5-methylphenol has a molecular weight of 230.26 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxyphenoxy)methyl]-5-methylphenol is sourced from PubChem (CID 117221141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).