3-(1-phenylprop-1-en-2-yloxy)propan-1-ol

C12H16O2 — CID 70184995

IUPAC3-(1-phenylprop-1-en-2-yloxy)propan-1-ol
SMILESCC(=Cc1ccccc1)OCCCO
InChIInChI=1S/C12H16O2/c1-11(14-9-5-8-13)10-12-6-3-2-4-7-12/h2-4,6-7,10,13H,5,8-9H2,1H3
InChIKeyHOHZQFIVZDJZJU-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.45
Rot. Bonds5

About 3-(1-phenylprop-1-en-2-yloxy)propan-1-ol

3-(1-phenylprop-1-en-2-yloxy)propan-1-ol (PubChem CID 70184995) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-(1-phenylprop-1-en-2-yloxy)propan-1-ol.

Molecular Properties

Compound Name3-(1-phenylprop-1-en-2-yloxy)propan-1-ol
PubChem CID70184995
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name3-(1-phenylprop-1-en-2-yloxy)propan-1-ol
SMILESCC(=Cc1ccccc1)OCCCO
InChIInChI=1S/C12H16O2/c1-11(14-9-5-8-13)10-12-6-3-2-4-7-12/h2-4,6-7,10,13H,5,8-9H2,1H3
InChIKeyHOHZQFIVZDJZJU-UHFFFAOYSA-N
XLogP2.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(E)-2-prop-2-enoxyprop-1-enyl]benzene
CID 67861596
2-prop-2-enoxyprop-1-enylbenzene
CID 54107703
methyl 2-(6-hydroxyhexoxy)-3-phenylprop-2-enoate
CID 140781645
ethyl 2-(6-hydroxyhexoxy)-3-phenylprop-2-enoate
CID 141374612
trimethyl-[(Z)-1-phenylprop-1-en-2-yl]oxysilane
CID 10822185
(2-butoxy-2-methoxyethenyl)benzene
CID 159522831
3-[(2-methyl-3-phenylprop-2-enyl)amino]propan-1-ol
CID 68679938
hexyl 2-methyl-3-phenylprop-2-enoate
CID 174586254
hexan-1-ol;2-(1-phenylbut-1-en-2-yloxy)but-1-enylbenzene
CID 175128455
3-pentoxy-1,4-diphenylbuta-1,3-dien-2-ol
CID 87853239
dichloro(1-phenylprop-1-en-2-yl)silane
CID 154143014
pentyl 2-hydroxy-3-phenylprop-2-enoate
CID 139668061

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylprop-1-en-2-yloxy)propan-1-ol?
The IUPAC name of 3-(1-phenylprop-1-en-2-yloxy)propan-1-ol (CID 70184995) is 3-(1-phenylprop-1-en-2-yloxy)propan-1-ol.
What is the SMILES notation for 3-(1-phenylprop-1-en-2-yloxy)propan-1-ol?
The canonical SMILES for 3-(1-phenylprop-1-en-2-yloxy)propan-1-ol is CC(=Cc1ccccc1)OCCCO.
What is the InChIKey of 3-(1-phenylprop-1-en-2-yloxy)propan-1-ol?
The InChIKey is HOHZQFIVZDJZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-11(14-9-5-8-13)10-12-6-3-2-4-7-12/h2-4,6-7,10,13H,5,8-9H2,1H3.
What are the key properties of 3-(1-phenylprop-1-en-2-yloxy)propan-1-ol?
3-(1-phenylprop-1-en-2-yloxy)propan-1-ol has a molecular weight of 192.26 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylprop-1-en-2-yloxy)propan-1-ol is sourced from PubChem (CID 70184995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).