1-phenylpropane-1,3-diol

C9H12O2 — CID 572059

IUPAC1-phenylpropane-1,3-diol
SMILESOCCC(O)c1ccccc1
InChIInChI=1S/C9H12O2/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2
InChIKeyRRVFYOSEKOTFOG-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.10
Rot. Bonds3

About 1-phenylpropane-1,3-diol

1-phenylpropane-1,3-diol (PubChem CID 572059) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 1-phenylpropane-1,3-diol.

Molecular Properties

Compound Name1-phenylpropane-1,3-diol
PubChem CID572059
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name1-phenylpropane-1,3-diol
SMILESOCCC(O)c1ccccc1
InChIInChI=1S/C9H12O2/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2
InChIKeyRRVFYOSEKOTFOG-UHFFFAOYSA-N
XLogP1.10
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

1-phenylpropane-1,3-diol;hydrobromide
CID 68975268
1-phenyldecane-1,10-diol
CID 15255187
3-amino-1-phenylpropan-1-ol;hydrochloride
CID 13013905
(1S)-3-amino-1-phenylpropan-1-ol;hydrochloride
CID 71743708
diphospazane;1-(4-phenylphenyl)propane-1,3-diol
CID 145407356
1,4,4-triphenylbutan-1-ol
CID 141326006
5-phenylpentane-1,2,5-triol
CID 82849671
(1R)-1,3-diphenylpropan-1-ol
CID 11845542
(4R)-1-phenylpentane-1,4-diol
CID 13204353
(1S)-1-(4-iodophenyl)propane-1,3-diol
CID 71066511
(1S)-1-phenylpentan-1-ol
CID 6992754
5-chloro-1-phenylpentan-1-ol
CID 14449235

Frequently Asked Questions

What is the IUPAC name of 1-phenylpropane-1,3-diol?
The IUPAC name of 1-phenylpropane-1,3-diol (CID 572059) is 1-phenylpropane-1,3-diol.
What is the SMILES notation for 1-phenylpropane-1,3-diol?
The canonical SMILES for 1-phenylpropane-1,3-diol is OCCC(O)c1ccccc1.
What is the InChIKey of 1-phenylpropane-1,3-diol?
The InChIKey is RRVFYOSEKOTFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2.
What are the key properties of 1-phenylpropane-1,3-diol?
1-phenylpropane-1,3-diol has a molecular weight of 152.19 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpropane-1,3-diol is sourced from PubChem (CID 572059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).