1-phenylpropan-1-ol

C9H12O — CID 7147

💊View drug profile → phenylpropanol
IUPAC1-phenylpropan-1-ol
SMILESCCC(O)c1ccccc1
InChIInChI=1S/C9H12O/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3
InChIKeyDYUQAZSOFZSPHD-UHFFFAOYSA-N
MW136.19 g/mol
LogP2.13
Rot. Bonds2

About 1-phenylpropan-1-ol

1-phenylpropan-1-ol (PubChem CID 7147) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 1-phenylpropan-1-ol.

Molecular Properties

Compound Name1-phenylpropan-1-ol
PubChem CID7147
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name1-phenylpropan-1-ol
SMILESCCC(O)c1ccccc1
InChIInChI=1S/C9H12O/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3
InChIKeyDYUQAZSOFZSPHD-UHFFFAOYSA-N
XLogP2.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Benzyl Alcohol
CID 244
2-Phenyl-2-propanol
CID 12053
2-Phenylethanol
CID 6054
Tyrosol
CID 10393
Styrene Oxide
CID 7276
1-Phenylethanol
CID 7409
Cumene Hydroperoxide
CID 6629
Cuminol
CID 325
Fenipentol
CID 3338
4-Methylbenzyl alcohol
CID 11505
Benzenepropanol
CID 31234
Mandelonitrile
CID 10758

Frequently Asked Questions

What is the IUPAC name of 1-phenylpropan-1-ol?
The IUPAC name of 1-phenylpropan-1-ol (CID 7147) is 1-phenylpropan-1-ol.
What is the SMILES notation for 1-phenylpropan-1-ol?
The canonical SMILES for 1-phenylpropan-1-ol is CCC(O)c1ccccc1.
What is the InChIKey of 1-phenylpropan-1-ol?
The InChIKey is DYUQAZSOFZSPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3.
What are the key properties of 1-phenylpropan-1-ol?
1-phenylpropan-1-ol has a molecular weight of 136.19 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpropan-1-ol is sourced from PubChem (CID 7147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).