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

C13H18O2 — CID 78930646

IUPAC(1S)-1-(2-but-2-enoxyphenyl)propan-1-ol
SMILESCC=CCOc1ccccc1[C@@H](O)CC
InChIInChI=1S/C13H18O2/c1-3-5-10-15-13-9-7-6-8-11(13)12(14)4-2/h3,5-9,12,14H,4,10H2,1-2H3/t12-/m0/s1
InChIKeyAFMKZCUURDKDJZ-LBPRGKRZSA-N
MW206.28 g/mol
LogP3.08
Rot. Bonds5

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

(1S)-1-(2-but-2-enoxyphenyl)propan-1-ol (PubChem CID 78930646) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is (1S)-1-(2-but-2-enoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name(1S)-1-(2-but-2-enoxyphenyl)propan-1-ol
PubChem CID78930646
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name(1S)-1-(2-but-2-enoxyphenyl)propan-1-ol
SMILESCC=CCOc1ccccc1[C@@H](O)CC
InChIInChI=1S/C13H18O2/c1-3-5-10-15-13-9-7-6-8-11(13)12(14)4-2/h3,5-9,12,14H,4,10H2,1-2H3/t12-/m0/s1
InChIKeyAFMKZCUURDKDJZ-LBPRGKRZSA-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'}

Analyze (1S)-1-(2-but-2-enoxyphenyl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[(E)-but-2-enoxy]phenyl]ethanol
CID 43504052
(1S)-1-(2-phenylmethoxyphenyl)propan-1-ol
CID 63365062
(1S)-1-(2-hexoxyphenyl)propan-1-ol
CID 78930140
1-(2-heptoxyphenyl)propan-1-ol
CID 43503487
(1S)-1-(2-prop-2-ynoxyphenyl)propan-1-ol
CID 63365133
(1S)-1-(2-heptoxyphenyl)propan-1-ol
CID 78944609
(1R)-1-[2-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol
CID 63365266
1-[2-[(1R)-1-hydroxypropyl]phenoxy]-2-methylpropan-2-ol
CID 78930642
1-[2-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]propan-1-ol
CID 106438801
1-[2-(1-hydroxypropyl)phenoxy]-3-methoxypropan-2-ol
CID 63929877
2-[2-(1-hydroxypropyl)phenoxy]acetamide
CID 43503607
5-[2-[(1R)-1-hydroxypropyl]phenoxy]pentan-1-ol
CID 78931048

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-but-2-enoxyphenyl)propan-1-ol?
The IUPAC name of (1S)-1-(2-but-2-enoxyphenyl)propan-1-ol (CID 78930646) is (1S)-1-(2-but-2-enoxyphenyl)propan-1-ol.
What is the SMILES notation for (1S)-1-(2-but-2-enoxyphenyl)propan-1-ol?
The canonical SMILES for (1S)-1-(2-but-2-enoxyphenyl)propan-1-ol is CC=CCOc1ccccc1[C@@H](O)CC.
What is the InChIKey of (1S)-1-(2-but-2-enoxyphenyl)propan-1-ol?
The InChIKey is AFMKZCUURDKDJZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18O2/c1-3-5-10-15-13-9-7-6-8-11(13)12(14)4-2/h3,5-9,12,14H,4,10H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-1-(2-but-2-enoxyphenyl)propan-1-ol?
(1S)-1-(2-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-(2-but-2-enoxyphenyl)propan-1-ol is sourced from PubChem (CID 78930646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).