4-(hydroxymethyl)-2-[(2-hydroxyphenyl)methyl]phenol

C14H14O3 — CID 86204769

IUPAC4-(hydroxymethyl)-2-[(2-hydroxyphenyl)methyl]phenol
SMILESOCc1ccc(O)c(Cc2ccccc2O)c1
InChIInChI=1S/C14H14O3/c15-9-10-5-6-14(17)12(7-10)8-11-3-1-2-4-13(11)16/h1-7,15-17H,8-9H2
InChIKeyHYLQFXBCVFMXEM-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.18
Rot. Bonds3

About 4-(hydroxymethyl)-2-[(2-hydroxyphenyl)methyl]phenol

4-(hydroxymethyl)-2-[(2-hydroxyphenyl)methyl]phenol (PubChem CID 86204769) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 4-(hydroxymethyl)-2-[(2-hydroxyphenyl)methyl]phenol.

Molecular Properties

Compound Name4-(hydroxymethyl)-2-[(2-hydroxyphenyl)methyl]phenol
PubChem CID86204769
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name4-(hydroxymethyl)-2-[(2-hydroxyphenyl)methyl]phenol
SMILESOCc1ccc(O)c(Cc2ccccc2O)c1
InChIInChI=1S/C14H14O3/c15-9-10-5-6-14(17)12(7-10)8-11-3-1-2-4-13(11)16/h1-7,15-17H,8-9H2
InChIKeyHYLQFXBCVFMXEM-UHFFFAOYSA-N
XLogP2.18
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-2-[(2-hydroxyphenyl)methyl]phenol?
The IUPAC name of 4-(hydroxymethyl)-2-[(2-hydroxyphenyl)methyl]phenol (CID 86204769) is 4-(hydroxymethyl)-2-[(2-hydroxyphenyl)methyl]phenol.
What is the SMILES notation for 4-(hydroxymethyl)-2-[(2-hydroxyphenyl)methyl]phenol?
The canonical SMILES for 4-(hydroxymethyl)-2-[(2-hydroxyphenyl)methyl]phenol is OCc1ccc(O)c(Cc2ccccc2O)c1.
What is the InChIKey of 4-(hydroxymethyl)-2-[(2-hydroxyphenyl)methyl]phenol?
The InChIKey is HYLQFXBCVFMXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c15-9-10-5-6-14(17)12(7-10)8-11-3-1-2-4-13(11)16/h1-7,15-17H,8-9H2.
What are the key properties of 4-(hydroxymethyl)-2-[(2-hydroxyphenyl)methyl]phenol?
4-(hydroxymethyl)-2-[(2-hydroxyphenyl)methyl]phenol has a molecular weight of 230.26 g/mol, XLogP of 2.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-2-[(2-hydroxyphenyl)methyl]phenol is sourced from PubChem (CID 86204769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).