4-(hydroxymethyl)phenol;hydrate

C7H10O3 — CID 141133894

IUPAC4-(hydroxymethyl)phenol;hydrate
SMILESO.OCc1ccc(O)cc1
InChIInChI=1S/C7H8O2.H2O/c8-5-6-1-3-7(9)4-2-6;/h1-4,8-9H,5H2;1H2
InChIKeyACILMZPHMPXNDG-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.06
Rot. Bonds1

About 4-(hydroxymethyl)phenol;hydrate

4-(hydroxymethyl)phenol;hydrate (PubChem CID 141133894) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 4-(hydroxymethyl)phenol;hydrate.

Molecular Properties

Compound Name4-(hydroxymethyl)phenol;hydrate
PubChem CID141133894
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name4-(hydroxymethyl)phenol;hydrate
SMILESO.OCc1ccc(O)cc1
InChIInChI=1S/C7H8O2.H2O/c8-5-6-1-3-7(9)4-2-6;/h1-4,8-9H,5H2;1H2
InChIKeyACILMZPHMPXNDG-UHFFFAOYSA-N
XLogP0.06
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(hydroxymethyl)phenol;phenol
CID 141229785
benzene-1,4-diol;[4-(hydroxymethyl)phenyl]methanol;phenol;phenylmethanol
CID 160554981
4-[2-[4-(hydroxymethyl)phenyl]-1-(4-hydroxyphenyl)-2-phenylethenyl]phenol
CID 175920876
4-ethenylphenol;(4-ethenylphenyl)methanol;phosphane;vanadium
CID 158621664
(4-chlorophenyl)methanol;4-methylphenol
CID 158049041
4-[(4-hydroxyphenyl)methyl]phenol
CID 12111
4-aminophenol;phenylmethanol
CID 174233952
phenylmethanol;hydrate
CID 68812705
4-(hydroxymethyl)phenol;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 175404414
ethane;(4-methylphenyl)methanol;hydrate
CID 144684706
4-[2,4-bis(hydroxymethyl)phenyl]phenol
CID 70444376
furan-2-ylmethanamine;4-(hydroxymethyl)phenol
CID 175459572

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)phenol;hydrate?
The IUPAC name of 4-(hydroxymethyl)phenol;hydrate (CID 141133894) is 4-(hydroxymethyl)phenol;hydrate.
What is the SMILES notation for 4-(hydroxymethyl)phenol;hydrate?
The canonical SMILES for 4-(hydroxymethyl)phenol;hydrate is O.OCc1ccc(O)cc1.
What is the InChIKey of 4-(hydroxymethyl)phenol;hydrate?
The InChIKey is ACILMZPHMPXNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2.H2O/c8-5-6-1-3-7(9)4-2-6;/h1-4,8-9H,5H2;1H2.
What are the key properties of 4-(hydroxymethyl)phenol;hydrate?
4-(hydroxymethyl)phenol;hydrate has a molecular weight of 142.15 g/mol, XLogP of 0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)phenol;hydrate is sourced from PubChem (CID 141133894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).