4-(hydroxymethyl)-2-methoxy-5-methylphenol

C9H12O3 — CID 15340173

IUPAC4-(hydroxymethyl)-2-methoxy-5-methylphenol
SMILESCOc1cc(CO)c(C)cc1O
InChIInChI=1S/C9H12O3/c1-6-3-8(11)9(12-2)4-7(6)5-10/h3-4,10-11H,5H2,1-2H3
InChIKeyPEPQKMRLFUYFBE-UHFFFAOYSA-N
MW168.19 g/mol
LogP1.20
Rot. Bonds2

About 4-(hydroxymethyl)-2-methoxy-5-methylphenol

4-(hydroxymethyl)-2-methoxy-5-methylphenol (PubChem CID 15340173) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 4-(hydroxymethyl)-2-methoxy-5-methylphenol.

Molecular Properties

Compound Name4-(hydroxymethyl)-2-methoxy-5-methylphenol
PubChem CID15340173
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name4-(hydroxymethyl)-2-methoxy-5-methylphenol
SMILESCOc1cc(CO)c(C)cc1O
InChIInChI=1S/C9H12O3/c1-6-3-8(11)9(12-2)4-7(6)5-10/h3-4,10-11H,5H2,1-2H3
InChIKeyPEPQKMRLFUYFBE-UHFFFAOYSA-N
XLogP1.20
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-5-methyl-4-(methylaminomethyl)phenol
CID 105422769
4-bromo-5-(hydroxymethyl)-2-methoxyphenol
CID 637415
3-(4-hydroxy-5-methoxy-2-methylphenyl)-2-methylpropanoic acid
CID 105423407
4-(hydroxymethyl)-2,6-dimethoxybenzene-1,3-diol
CID 149144682
methyl 4-(hydroxymethyl)-2-methoxy-5-methylbenzenecarboperoxoate
CID 174716645
2-(aminomethyl)-4-methoxy-5-methylphenol
CID 67518615
4-[(E)-4-(4-hydroxy-3-methoxyphenyl)but-2-enyl]-2-(hydroxymethyl)phenol
CID 122643932
(2-ethyl-4,5-dimethoxyphenyl)methanol
CID 14094580
5-methoxybenzene-1,2,4-triol
CID 20551665
2,4-bis(hydroxymethyl)-6-methoxyphenol;2-methoxyphenol
CID 70503529
5-chloro-4-(chloromethyl)-2-methoxyphenol
CID 131191143
6-(hydroxymethyl)-3-methoxy-2,4-dimethylphenol
CID 84768719

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-2-methoxy-5-methylphenol?
The IUPAC name of 4-(hydroxymethyl)-2-methoxy-5-methylphenol (CID 15340173) is 4-(hydroxymethyl)-2-methoxy-5-methylphenol.
What is the SMILES notation for 4-(hydroxymethyl)-2-methoxy-5-methylphenol?
The canonical SMILES for 4-(hydroxymethyl)-2-methoxy-5-methylphenol is COc1cc(CO)c(C)cc1O.
What is the InChIKey of 4-(hydroxymethyl)-2-methoxy-5-methylphenol?
The InChIKey is PEPQKMRLFUYFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c1-6-3-8(11)9(12-2)4-7(6)5-10/h3-4,10-11H,5H2,1-2H3.
What are the key properties of 4-(hydroxymethyl)-2-methoxy-5-methylphenol?
4-(hydroxymethyl)-2-methoxy-5-methylphenol has a molecular weight of 168.19 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-2-methoxy-5-methylphenol is sourced from PubChem (CID 15340173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).