1-phenylpropane-1,2-diol

C9H12O2 — CID 15825

IUPAC1-phenylpropane-1,2-diol
SMILESCC(O)C(O)c1ccccc1
InChIInChI=1S/C9H12O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9-11H,1H3
InChIKeyMZQZXSHFWDHNOW-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.10
Rot. Bonds2

About 1-phenylpropane-1,2-diol

1-phenylpropane-1,2-diol (PubChem CID 15825) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 1-phenylpropane-1,2-diol.

Molecular Properties

Compound Name1-phenylpropane-1,2-diol
PubChem CID15825
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name1-phenylpropane-1,2-diol
SMILESCC(O)C(O)c1ccccc1
InChIInChI=1S/C9H12O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9-11H,1H3
InChIKeyMZQZXSHFWDHNOW-UHFFFAOYSA-N
XLogP1.10
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenylpropane-1,2-diol?
The IUPAC name of 1-phenylpropane-1,2-diol (CID 15825) is 1-phenylpropane-1,2-diol.
What is the SMILES notation for 1-phenylpropane-1,2-diol?
The canonical SMILES for 1-phenylpropane-1,2-diol is CC(O)C(O)c1ccccc1.
What is the InChIKey of 1-phenylpropane-1,2-diol?
The InChIKey is MZQZXSHFWDHNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9-11H,1H3.
What are the key properties of 1-phenylpropane-1,2-diol?
1-phenylpropane-1,2-diol has a molecular weight of 152.19 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpropane-1,2-diol is sourced from PubChem (CID 15825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).