2-(hydroxymethyl)propane-1,3-diol;phenol

C10H16O4 — CID 66686681

IUPAC2-(hydroxymethyl)propane-1,3-diol;phenol
SMILESOCC(CO)CO.Oc1ccccc1
InChIInChI=1S/C6H6O.C4H10O3/c7-6-4-2-1-3-5-6;5-1-4(2-6)3-7/h1-5,7H;4-7H,1-3H2
InChIKeyFUSCHFAWEAMDBO-UHFFFAOYSA-N
MW200.23 g/mol
LogP-0.03
Rot. Bonds3

About 2-(hydroxymethyl)propane-1,3-diol;phenol

2-(hydroxymethyl)propane-1,3-diol;phenol (PubChem CID 66686681) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 2-(hydroxymethyl)propane-1,3-diol;phenol.

Molecular Properties

Compound Name2-(hydroxymethyl)propane-1,3-diol;phenol
PubChem CID66686681
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name2-(hydroxymethyl)propane-1,3-diol;phenol
SMILESOCC(CO)CO.Oc1ccccc1
InChIInChI=1S/C6H6O.C4H10O3/c7-6-4-2-1-3-5-6;5-1-4(2-6)3-7/h1-5,7H;4-7H,1-3H2
InChIKeyFUSCHFAWEAMDBO-UHFFFAOYSA-N
XLogP-0.03
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 5-0.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylpropan-1-ol;phenol
CID 158335156
phenol;bis(yttrium)
CID 59089942
argon;phenol
CID 159678450
molybdenum;phenol
CID 154246724
phenol;phosphane
CID 159689182
CID 67496590
CID 67496590
phenol;tantalum
CID 19915613
neodymium;phenol
CID 154361260
phenol;titanium(2+)
CID 23042599
CID 159904044
CID 159904044
aluminum phenol
CID 19023057
CID 161001247
CID 161001247

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)propane-1,3-diol;phenol?
The IUPAC name of 2-(hydroxymethyl)propane-1,3-diol;phenol (CID 66686681) is 2-(hydroxymethyl)propane-1,3-diol;phenol.
What is the SMILES notation for 2-(hydroxymethyl)propane-1,3-diol;phenol?
The canonical SMILES for 2-(hydroxymethyl)propane-1,3-diol;phenol is OCC(CO)CO.Oc1ccccc1.
What is the InChIKey of 2-(hydroxymethyl)propane-1,3-diol;phenol?
The InChIKey is FUSCHFAWEAMDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.C4H10O3/c7-6-4-2-1-3-5-6;5-1-4(2-6)3-7/h1-5,7H;4-7H,1-3H2.
What are the key properties of 2-(hydroxymethyl)propane-1,3-diol;phenol?
2-(hydroxymethyl)propane-1,3-diol;phenol has a molecular weight of 200.23 g/mol, XLogP of -0.03, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)propane-1,3-diol;phenol is sourced from PubChem (CID 66686681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).