4-(hydroxymethyl)phenol;phenol

C13H14O3 — CID 141229785

IUPAC4-(hydroxymethyl)phenol;phenol
SMILESOCc1ccc(O)cc1.Oc1ccccc1
InChIInChI=1S/C7H8O2.C6H6O/c8-5-6-1-3-7(9)4-2-6;7-6-4-2-1-3-5-6/h1-4,8-9H,5H2;1-5,7H
InChIKeyZRIWTJBOPUGCFA-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.28
Rot. Bonds1

About 4-(hydroxymethyl)phenol;phenol

4-(hydroxymethyl)phenol;phenol (PubChem CID 141229785) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is 4-(hydroxymethyl)phenol;phenol.

Molecular Properties

Compound Name4-(hydroxymethyl)phenol;phenol
PubChem CID141229785
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name4-(hydroxymethyl)phenol;phenol
SMILESOCc1ccc(O)cc1.Oc1ccccc1
InChIInChI=1S/C7H8O2.C6H6O/c8-5-6-1-3-7(9)4-2-6;7-6-4-2-1-3-5-6/h1-4,8-9H,5H2;1-5,7H
InChIKeyZRIWTJBOPUGCFA-UHFFFAOYSA-N
XLogP2.28
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

benzene-1,4-diol;[4-(hydroxymethyl)phenyl]methanol;phenol;phenylmethanol
CID 160554981
4-(hydroxymethyl)phenol;hydrate
CID 141133894
4-[2-[4-(hydroxymethyl)phenyl]-1-(4-hydroxyphenyl)-2-phenylethenyl]phenol
CID 175920876
4-aminophenol;phenylmethanol
CID 174233952
phenylmethanol;tungsten
CID 166544439
phenylmethanol;hydrate
CID 68812705
phenylmethanol;zirconium
CID 18688174
methanol;phenylmethanol
CID 19822462
phenylmethanol;titanium;dihydrochloride
CID 88632851
ethane-1,2-diol;phenylmethanol
CID 69228462
disodium;hydride;phenylmethanol
CID 174792747
sodium;phenylmethanol;hydroxide
CID 67303637

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)phenol;phenol?
The IUPAC name of 4-(hydroxymethyl)phenol;phenol (CID 141229785) is 4-(hydroxymethyl)phenol;phenol.
What is the SMILES notation for 4-(hydroxymethyl)phenol;phenol?
The canonical SMILES for 4-(hydroxymethyl)phenol;phenol is OCc1ccc(O)cc1.Oc1ccccc1.
What is the InChIKey of 4-(hydroxymethyl)phenol;phenol?
The InChIKey is ZRIWTJBOPUGCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2.C6H6O/c8-5-6-1-3-7(9)4-2-6;7-6-4-2-1-3-5-6/h1-4,8-9H,5H2;1-5,7H.
What are the key properties of 4-(hydroxymethyl)phenol;phenol?
4-(hydroxymethyl)phenol;phenol has a molecular weight of 218.25 g/mol, XLogP of 2.28, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)phenol;phenol is sourced from PubChem (CID 141229785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).