4-[2,4-bis(hydroxymethyl)phenyl]phenol

C14H14O3 — CID 70444376

IUPAC4-[2,4-bis(hydroxymethyl)phenyl]phenol
SMILESOCc1ccc(-c2ccc(O)cc2)c(CO)c1
InChIInChI=1S/C14H14O3/c15-8-10-1-6-14(12(7-10)9-16)11-2-4-13(17)5-3-11/h1-7,15-17H,8-9H2
InChIKeyDIQFSFFWWLRRCG-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.04
Rot. Bonds3

About 4-[2,4-bis(hydroxymethyl)phenyl]phenol

4-[2,4-bis(hydroxymethyl)phenyl]phenol (PubChem CID 70444376) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 4-[2,4-bis(hydroxymethyl)phenyl]phenol.

Molecular Properties

Compound Name4-[2,4-bis(hydroxymethyl)phenyl]phenol
PubChem CID70444376
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name4-[2,4-bis(hydroxymethyl)phenyl]phenol
SMILESOCc1ccc(-c2ccc(O)cc2)c(CO)c1
InChIInChI=1S/C14H14O3/c15-8-10-1-6-14(12(7-10)9-16)11-2-4-13(17)5-3-11/h1-7,15-17H,8-9H2
InChIKeyDIQFSFFWWLRRCG-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2,4-bis(hydroxymethyl)phenyl]phenol?
The IUPAC name of 4-[2,4-bis(hydroxymethyl)phenyl]phenol (CID 70444376) is 4-[2,4-bis(hydroxymethyl)phenyl]phenol.
What is the SMILES notation for 4-[2,4-bis(hydroxymethyl)phenyl]phenol?
The canonical SMILES for 4-[2,4-bis(hydroxymethyl)phenyl]phenol is OCc1ccc(-c2ccc(O)cc2)c(CO)c1.
What is the InChIKey of 4-[2,4-bis(hydroxymethyl)phenyl]phenol?
The InChIKey is DIQFSFFWWLRRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c15-8-10-1-6-14(12(7-10)9-16)11-2-4-13(17)5-3-11/h1-7,15-17H,8-9H2.
What are the key properties of 4-[2,4-bis(hydroxymethyl)phenyl]phenol?
4-[2,4-bis(hydroxymethyl)phenyl]phenol has a molecular weight of 230.26 g/mol, XLogP of 2.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,4-bis(hydroxymethyl)phenyl]phenol is sourced from PubChem (CID 70444376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).