4-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]phenol

C10H12O4 — CID 82112171

IUPAC4-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]phenol
SMILESOCC1COC(c2ccc(O)cc2)O1
InChIInChI=1S/C10H12O4/c11-5-9-6-13-10(14-9)7-1-3-8(12)4-2-7/h1-4,9-12H,5-6H2
InChIKeyPKSDGRVYPISOPY-UHFFFAOYSA-N
MW196.20 g/mol
LogP0.80
Rot. Bonds2

About 4-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]phenol

4-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]phenol (PubChem CID 82112171) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 4-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]phenol.

Molecular Properties

Compound Name4-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]phenol
PubChem CID82112171
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name4-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]phenol
SMILESOCC1COC(c2ccc(O)cc2)O1
InChIInChI=1S/C10H12O4/c11-5-9-6-13-10(14-9)7-1-3-8(12)4-2-7/h1-4,9-12H,5-6H2
InChIKeyPKSDGRVYPISOPY-UHFFFAOYSA-N
XLogP0.80
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(4S)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 10726056
2-[2-(4-hydroxyphenyl)-1,3-dioxolan-4-yl]acetonitrile
CID 117170025
2-[2-(4-cyclobutylphenyl)-1,3-dioxolan-4-yl]ethanol
CID 142111859
2,2,2-trifluoro-N-[4-[2-(4-hydroxyphenyl)-1,3-dioxolan-4-yl]butyl]acetamide
CID 129036762
3-[4-(chloromethyl)-1,3-dioxolan-2-yl]phenol
CID 82778654
[(2R,4S)-2-(2-methylphenyl)-1,3-dioxolan-4-yl]methanol
CID 94253898
4-(chloromethyl)-2-(4-ethylphenyl)-1,3-dioxolane
CID 79022148
[(2S,4S)-2-(2-methylphenyl)-1,3-dioxolan-4-yl]methanol
CID 94253899
4-(1,3-dioxetan-2-yl)phenol
CID 57167752
[2-(5-methylthiophen-2-yl)-1,3-dioxolan-4-yl]methanol
CID 115094617
3-[4-(aminomethyl)-1,3-dioxolan-2-yl]phenol
CID 79001840
[2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methanol
CID 163756517

Frequently Asked Questions

What is the IUPAC name of 4-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]phenol?
The IUPAC name of 4-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]phenol (CID 82112171) is 4-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]phenol.
What is the SMILES notation for 4-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]phenol?
The canonical SMILES for 4-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]phenol is OCC1COC(c2ccc(O)cc2)O1.
What is the InChIKey of 4-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]phenol?
The InChIKey is PKSDGRVYPISOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c11-5-9-6-13-10(14-9)7-1-3-8(12)4-2-7/h1-4,9-12H,5-6H2.
What are the key properties of 4-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]phenol?
4-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]phenol has a molecular weight of 196.20 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]phenol is sourced from PubChem (CID 82112171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).