acetic acid;[4-(hydroxymethyl)phenyl]methanol

C12H18O6 — CID 71354218

IUPACacetic acid;[4-(hydroxymethyl)phenyl]methanol
SMILESCC(=O)O.CC(=O)O.OCc1ccc(CO)cc1
InChIInChI=1S/C8H10O2.2C2H4O2/c9-5-7-1-2-8(6-10)4-3-7;2*1-2(3)4/h1-4,9-10H,5-6H2;2*1H3,(H,3,4)
InChIKeyMUWHPUGDVHPVCT-UHFFFAOYSA-N
MW258.27 g/mol
LogP0.85
Rot. Bonds2

About acetic acid;[4-(hydroxymethyl)phenyl]methanol

acetic acid;[4-(hydroxymethyl)phenyl]methanol (PubChem CID 71354218) has the molecular formula C12H18O6 and a molecular weight of 258.27 g/mol. Its IUPAC name is acetic acid;[4-(hydroxymethyl)phenyl]methanol.

Molecular Properties

Compound Nameacetic acid;[4-(hydroxymethyl)phenyl]methanol
PubChem CID71354218
Molecular FormulaC12H18O6
Molecular Weight258.27 g/mol
Exact Mass258.11
IUPAC Nameacetic acid;[4-(hydroxymethyl)phenyl]methanol
SMILESCC(=O)O.CC(=O)O.OCc1ccc(CO)cc1
InChIInChI=1S/C8H10O2.2C2H4O2/c9-5-7-1-2-8(6-10)4-3-7;2*1-2(3)4/h1-4,9-10H,5-6H2;2*1H3,(H,3,4)
InChIKeyMUWHPUGDVHPVCT-UHFFFAOYSA-N
XLogP0.85
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(hydroxymethyl)phenyl]-2-methylprop-2-enoic acid
CID 67022405
methyl acetate;phenylmethanol
CID 174674344
acetic acid;(3-chloro-4-methylphenyl)methanol
CID 71397051
acetic acid;N-(2-aminoethyl)-4-(hydroxymethyl)benzamide
CID 67918850
2-[4-(hydroxymethyl)phenyl]-3-oxopropanoic acid
CID 54207063
ethane;[4-[2-[4-(hydroxymethyl)phenyl]ethyl]phenyl]methanol
CID 144873732
methanol;phenylmethanol
CID 19822462
(4-methylphenyl)methanol
CID 138734499
cyclopropane;4-(hydroxymethyl)benzoic acid
CID 67743038
2-dimethylsilyl-2-[4-(hydroxymethyl)phenyl]propanoic acid
CID 173299731
chloro 4-(hydroxymethyl)benzoate
CID 174742184
sodium 2-[4-(hydroxymethyl)phenyl]acetate
CID 139632629

Frequently Asked Questions

What is the IUPAC name of acetic acid;[4-(hydroxymethyl)phenyl]methanol?
The IUPAC name of acetic acid;[4-(hydroxymethyl)phenyl]methanol (CID 71354218) is acetic acid;[4-(hydroxymethyl)phenyl]methanol.
What is the SMILES notation for acetic acid;[4-(hydroxymethyl)phenyl]methanol?
The canonical SMILES for acetic acid;[4-(hydroxymethyl)phenyl]methanol is CC(=O)O.CC(=O)O.OCc1ccc(CO)cc1.
What is the InChIKey of acetic acid;[4-(hydroxymethyl)phenyl]methanol?
The InChIKey is MUWHPUGDVHPVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2.2C2H4O2/c9-5-7-1-2-8(6-10)4-3-7;2*1-2(3)4/h1-4,9-10H,5-6H2;2*1H3,(H,3,4).
What are the key properties of acetic acid;[4-(hydroxymethyl)phenyl]methanol?
acetic acid;[4-(hydroxymethyl)phenyl]methanol has a molecular weight of 258.27 g/mol, XLogP of 0.85, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;[4-(hydroxymethyl)phenyl]methanol is sourced from PubChem (CID 71354218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).