1-phenylethane-1,2-diol

C8H10O2 — CID 7149

IUPAC1-phenylethane-1,2-diol
SMILESOCC(O)c1ccccc1
InChIInChI=1S/C8H10O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8-10H,6H2
InChIKeyPWMWNFMRSKOCEY-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.71
Rot. Bonds2

About 1-phenylethane-1,2-diol

1-phenylethane-1,2-diol (PubChem CID 7149) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 1-phenylethane-1,2-diol.

Molecular Properties

Compound Name1-phenylethane-1,2-diol
PubChem CID7149
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name1-phenylethane-1,2-diol
SMILESOCC(O)c1ccccc1
InChIInChI=1S/C8H10O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8-10H,6H2
InChIKeyPWMWNFMRSKOCEY-UHFFFAOYSA-N
XLogP0.71
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenylethane-1,2-diol?
The IUPAC name of 1-phenylethane-1,2-diol (CID 7149) is 1-phenylethane-1,2-diol.
What is the SMILES notation for 1-phenylethane-1,2-diol?
The canonical SMILES for 1-phenylethane-1,2-diol is OCC(O)c1ccccc1.
What is the InChIKey of 1-phenylethane-1,2-diol?
The InChIKey is PWMWNFMRSKOCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8-10H,6H2.
What are the key properties of 1-phenylethane-1,2-diol?
1-phenylethane-1,2-diol has a molecular weight of 138.17 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethane-1,2-diol is sourced from PubChem (CID 7149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).