phenol;phenylmethanediol

C13H14O3 — CID 174902406

IUPACphenol;phenylmethanediol
SMILESOC(O)c1ccccc1.Oc1ccccc1
InChIInChI=1S/C7H8O2.C6H6O/c8-7(9)6-4-2-1-3-5-6;7-6-4-2-1-3-5-6/h1-5,7-9H;1-5,7H
InChIKeyFOZMOHUXNHAGLH-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.06
Rot. Bonds1

About phenol;phenylmethanediol

phenol;phenylmethanediol (PubChem CID 174902406) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is phenol;phenylmethanediol.

Molecular Properties

Compound Namephenol;phenylmethanediol
PubChem CID174902406
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Namephenol;phenylmethanediol
SMILESOC(O)c1ccccc1.Oc1ccccc1
InChIInChI=1S/C7H8O2.C6H6O/c8-7(9)6-4-2-1-3-5-6;7-6-4-2-1-3-5-6/h1-5,7-9H;1-5,7H
InChIKeyFOZMOHUXNHAGLH-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

phenylmethanediol;titanium;bis(titanium(3+));dihydrate
CID 139244939
carbanide;tris(phenylmethanediol);zinc;dihydrate
CID 20663003
phenol;phosphane
CID 159689182
CID 67496590
CID 67496590
molybdenum;phenol
CID 154246724
argon;phenol
CID 159678450
phenol;tantalum
CID 19915613
phenol;titanium(2+)
CID 23042599
neodymium;phenol
CID 154361260
CID 159904044
CID 159904044
aluminum phenol
CID 19023057
CID 161001247
CID 161001247

Frequently Asked Questions

What is the IUPAC name of phenol;phenylmethanediol?
The IUPAC name of phenol;phenylmethanediol (CID 174902406) is phenol;phenylmethanediol.
What is the SMILES notation for phenol;phenylmethanediol?
The canonical SMILES for phenol;phenylmethanediol is OC(O)c1ccccc1.Oc1ccccc1.
What is the InChIKey of phenol;phenylmethanediol?
The InChIKey is FOZMOHUXNHAGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2.C6H6O/c8-7(9)6-4-2-1-3-5-6;7-6-4-2-1-3-5-6/h1-5,7-9H;1-5,7H.
What are the key properties of phenol;phenylmethanediol?
phenol;phenylmethanediol has a molecular weight of 218.25 g/mol, XLogP of 2.06, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenol;phenylmethanediol is sourced from PubChem (CID 174902406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).