2-(hydroxymethyl)-5-(4-hydroxy-3-methylphenyl)phenol

C14H14O3 — CID 130219641

IUPAC2-(hydroxymethyl)-5-(4-hydroxy-3-methylphenyl)phenol
SMILESCc1cc(-c2ccc(CO)c(O)c2)ccc1O
InChIInChI=1S/C14H14O3/c1-9-6-10(4-5-13(9)16)11-2-3-12(8-15)14(17)7-11/h2-7,15-17H,8H2,1H3
InChIKeyDENAIDKRQWVTJX-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.57
Rot. Bonds2

About 2-(hydroxymethyl)-5-(4-hydroxy-3-methylphenyl)phenol

2-(hydroxymethyl)-5-(4-hydroxy-3-methylphenyl)phenol (PubChem CID 130219641) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-(hydroxymethyl)-5-(4-hydroxy-3-methylphenyl)phenol.

Molecular Properties

Compound Name2-(hydroxymethyl)-5-(4-hydroxy-3-methylphenyl)phenol
PubChem CID130219641
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name2-(hydroxymethyl)-5-(4-hydroxy-3-methylphenyl)phenol
SMILESCc1cc(-c2ccc(CO)c(O)c2)ccc1O
InChIInChI=1S/C14H14O3/c1-9-6-10(4-5-13(9)16)11-2-3-12(8-15)14(17)7-11/h2-7,15-17H,8H2,1H3
InChIKeyDENAIDKRQWVTJX-UHFFFAOYSA-N
XLogP2.57
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-5-(4-hydroxy-3-methylphenyl)phenol?
The IUPAC name of 2-(hydroxymethyl)-5-(4-hydroxy-3-methylphenyl)phenol (CID 130219641) is 2-(hydroxymethyl)-5-(4-hydroxy-3-methylphenyl)phenol.
What is the SMILES notation for 2-(hydroxymethyl)-5-(4-hydroxy-3-methylphenyl)phenol?
The canonical SMILES for 2-(hydroxymethyl)-5-(4-hydroxy-3-methylphenyl)phenol is Cc1cc(-c2ccc(CO)c(O)c2)ccc1O.
What is the InChIKey of 2-(hydroxymethyl)-5-(4-hydroxy-3-methylphenyl)phenol?
The InChIKey is DENAIDKRQWVTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-9-6-10(4-5-13(9)16)11-2-3-12(8-15)14(17)7-11/h2-7,15-17H,8H2,1H3.
What are the key properties of 2-(hydroxymethyl)-5-(4-hydroxy-3-methylphenyl)phenol?
2-(hydroxymethyl)-5-(4-hydroxy-3-methylphenyl)phenol has a molecular weight of 230.26 g/mol, XLogP of 2.57, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-5-(4-hydroxy-3-methylphenyl)phenol is sourced from PubChem (CID 130219641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).