1-phenylpropan-1-ol;hydrate

C9H14O2 — CID 156782934

IUPAC1-phenylpropan-1-ol;hydrate
SMILESCCC(O)c1ccccc1.O
InChIInChI=1S/C9H12O.H2O/c1-2-9(10)8-6-4-3-5-7-8;/h3-7,9-10H,2H2,1H3;1H2
InChIKeyAZSGPIBGVZUILS-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.31
Rot. Bonds2

About 1-phenylpropan-1-ol;hydrate

1-phenylpropan-1-ol;hydrate (PubChem CID 156782934) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-phenylpropan-1-ol;hydrate.

Molecular Properties

Compound Name1-phenylpropan-1-ol;hydrate
PubChem CID156782934
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name1-phenylpropan-1-ol;hydrate
SMILESCCC(O)c1ccccc1.O
InChIInChI=1S/C9H12O.H2O/c1-2-9(10)8-6-4-3-5-7-8;/h3-7,9-10H,2H2,1H3;1H2
InChIKeyAZSGPIBGVZUILS-UHFFFAOYSA-N
XLogP1.31
TPSA51.73 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

dichloromethane;1-phenylpropan-1-ol
CID 175142848
1-phenylpropan-1-ol;2-phenylpropan-2-ol
CID 174769511
1-[4-[1-[4-(1-hydroxypropyl)phenyl]propyl]phenyl]propan-1-ol
CID 174900127
(1S,2R)-2-deuterio-1-phenylpropan-1-ol
CID 175690859
(1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-ol
CID 78960222
2-amino-3-hydroxypropanoic acid;1-phenylpropan-1-ol
CID 174962232
tetrakis(1,3-diphenylpropane-1,3-diol);titanium;dihydrate
CID 168793676
1-phenylpropan-1-ol;3-phenylprop-2-enoic acid
CID 174889683
tert-butyl carbamate;1-phenylpropan-1-ol
CID 21221796
(1S)-1-phenylpentan-1-ol
CID 6992754
(1S)-1-[4-(2-phenoxyethoxy)phenyl]propan-1-ol
CID 78932191
(1R)-1-[4-(3-phenoxypropoxy)phenyl]propan-1-ol
CID 63365592

Frequently Asked Questions

What is the IUPAC name of 1-phenylpropan-1-ol;hydrate?
The IUPAC name of 1-phenylpropan-1-ol;hydrate (CID 156782934) is 1-phenylpropan-1-ol;hydrate.
What is the SMILES notation for 1-phenylpropan-1-ol;hydrate?
The canonical SMILES for 1-phenylpropan-1-ol;hydrate is CCC(O)c1ccccc1.O.
What is the InChIKey of 1-phenylpropan-1-ol;hydrate?
The InChIKey is AZSGPIBGVZUILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.H2O/c1-2-9(10)8-6-4-3-5-7-8;/h3-7,9-10H,2H2,1H3;1H2.
What are the key properties of 1-phenylpropan-1-ol;hydrate?
1-phenylpropan-1-ol;hydrate has a molecular weight of 154.21 g/mol, XLogP of 1.31, 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;hydrate is sourced from PubChem (CID 156782934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).