(1S)-1-(4-but-2-enoxyphenyl)propan-1-ol

C13H18O2 — CID 78934082

IUPAC(1S)-1-(4-but-2-enoxyphenyl)propan-1-ol
SMILESCC=CCOc1ccc([C@@H](O)CC)cc1
InChIInChI=1S/C13H18O2/c1-3-5-10-15-12-8-6-11(7-9-12)13(14)4-2/h3,5-9,13-14H,4,10H2,1-2H3/t13-/m0/s1
InChIKeyHGDFLTDWVXFTBP-ZDUSSCGKSA-N
MW206.28 g/mol
LogP3.08
Rot. Bonds5

About (1S)-1-(4-but-2-enoxyphenyl)propan-1-ol

(1S)-1-(4-but-2-enoxyphenyl)propan-1-ol (PubChem CID 78934082) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is (1S)-1-(4-but-2-enoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name(1S)-1-(4-but-2-enoxyphenyl)propan-1-ol
PubChem CID78934082
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name(1S)-1-(4-but-2-enoxyphenyl)propan-1-ol
SMILESCC=CCOc1ccc([C@@H](O)CC)cc1
InChIInChI=1S/C13H18O2/c1-3-5-10-15-12-8-6-11(7-9-12)13(14)4-2/h3,5-9,13-14H,4,10H2,1-2H3/t13-/m0/s1
InChIKeyHGDFLTDWVXFTBP-ZDUSSCGKSA-N
XLogP3.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(E)-3-chloroprop-2-enoxy]phenyl]propan-1-ol
CID 43504561
1-(4-butoxyphenyl)propan-1-ol
CID 19979001
1-[4-[(E)-but-2-enoxy]phenyl]-N-propylpropan-1-amine
CID 60887233
(1S)-1-[4-(ethoxymethoxy)phenyl]propan-1-ol
CID 79005366
1-[4-(1-hydroxypropyl)phenoxy]butan-2-ol
CID 60887102
1-[4-(1-hydroxypropyl)phenoxy]-2-methylpropan-2-ol
CID 60883807
(1S)-1-[4-(2-phenoxyethoxy)phenyl]propan-1-ol
CID 78932191
1-[4-[(E)-but-2-enoxy]phenyl]butan-2-amine
CID 60907948
(1R)-1-[4-(3-phenoxypropoxy)phenyl]propan-1-ol
CID 63365592
(1S)-1-(2-but-2-enoxyphenyl)propan-1-ol
CID 78930646
3-[4-[(1S)-1-hydroxypropyl]phenoxy]propanamide
CID 78932628
(1S)-1-[4-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]propan-1-ol
CID 106438842

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-but-2-enoxyphenyl)propan-1-ol?
The IUPAC name of (1S)-1-(4-but-2-enoxyphenyl)propan-1-ol (CID 78934082) is (1S)-1-(4-but-2-enoxyphenyl)propan-1-ol.
What is the SMILES notation for (1S)-1-(4-but-2-enoxyphenyl)propan-1-ol?
The canonical SMILES for (1S)-1-(4-but-2-enoxyphenyl)propan-1-ol is CC=CCOc1ccc([C@@H](O)CC)cc1.
What is the InChIKey of (1S)-1-(4-but-2-enoxyphenyl)propan-1-ol?
The InChIKey is HGDFLTDWVXFTBP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H18O2/c1-3-5-10-15-12-8-6-11(7-9-12)13(14)4-2/h3,5-9,13-14H,4,10H2,1-2H3/t13-/m0/s1.
What are the key properties of (1S)-1-(4-but-2-enoxyphenyl)propan-1-ol?
(1S)-1-(4-but-2-enoxyphenyl)propan-1-ol has a molecular weight of 206.28 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-but-2-enoxyphenyl)propan-1-ol is sourced from PubChem (CID 78934082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).