3-[2-[(E)-2-phenylethenyl]phenoxy]propan-1-ol

C17H18O2 — CID 21078223

IUPAC3-[2-[(E)-2-phenylethenyl]phenoxy]propan-1-ol
SMILESOCCCOc1ccccc1/C=C/c1ccccc1
InChIInChI=1S/C17H18O2/c18-13-6-14-19-17-10-5-4-9-16(17)12-11-15-7-2-1-3-8-15/h1-5,7-12,18H,6,13-14H2/b12-11+
InChIKeyRPSFLHDEUWCQKG-VAWYXSNFSA-N
MW254.33 g/mol
LogP3.62
Rot. Bonds6

About 3-[2-[(E)-2-phenylethenyl]phenoxy]propan-1-ol

3-[2-[(E)-2-phenylethenyl]phenoxy]propan-1-ol (PubChem CID 21078223) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-[2-[(E)-2-phenylethenyl]phenoxy]propan-1-ol.

Molecular Properties

Compound Name3-[2-[(E)-2-phenylethenyl]phenoxy]propan-1-ol
PubChem CID21078223
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name3-[2-[(E)-2-phenylethenyl]phenoxy]propan-1-ol
SMILESOCCCOc1ccccc1/C=C/c1ccccc1
InChIInChI=1S/C17H18O2/c18-13-6-14-19-17-10-5-4-9-16(17)12-11-15-7-2-1-3-8-15/h1-5,7-12,18H,6,13-14H2/b12-11+
InChIKeyRPSFLHDEUWCQKG-VAWYXSNFSA-N
XLogP3.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-phenylethenyl)phenoxy]ethanol
CID 70576558
3-[2-[(E)-2-phenylethenyl]phenoxy]propan-1-amine
CID 20555192
1-(2-chloroethoxy)-2-[(E)-2-phenylethenyl]benzene
CID 22755686
2-[2,3-bis[(E)-2-phenylethenyl]phenoxy]ethanol
CID 162493938
2-[4-[4-[2-(2-phenylethenyl)phenoxy]butyl]piperazin-1-yl]ethanol
CID 3055463
1-[4-[2-[(E)-2-phenylethenyl]phenoxy]butyl]azepane
CID 70526767
triethyl-[2-[2-[(E)-2-phenylethenyl]phenoxy]ethyl]azanium iodide
CID 20838079
1-[4-[2-(2-phenylethenyl)phenoxy]butyl]piperidin-4-ol
CID 54409840
4-(2-ethenylphenoxy)butan-1-ol
CID 101029392
2-(4-hydroxybutoxy)benzaldehyde
CID 60773519
3-(2-phenoxyphenoxy)propan-1-ol
CID 54477263
1-(2-phenylethenyl)-2-[2-(2-phenylethenyl)phenoxy]benzene;phosphoric acid
CID 155345886

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(E)-2-phenylethenyl]phenoxy]propan-1-ol?
The IUPAC name of 3-[2-[(E)-2-phenylethenyl]phenoxy]propan-1-ol (CID 21078223) is 3-[2-[(E)-2-phenylethenyl]phenoxy]propan-1-ol.
What is the SMILES notation for 3-[2-[(E)-2-phenylethenyl]phenoxy]propan-1-ol?
The canonical SMILES for 3-[2-[(E)-2-phenylethenyl]phenoxy]propan-1-ol is OCCCOc1ccccc1/C=C/c1ccccc1.
What is the InChIKey of 3-[2-[(E)-2-phenylethenyl]phenoxy]propan-1-ol?
The InChIKey is RPSFLHDEUWCQKG-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H18O2/c18-13-6-14-19-17-10-5-4-9-16(17)12-11-15-7-2-1-3-8-15/h1-5,7-12,18H,6,13-14H2/b12-11+.
What are the key properties of 3-[2-[(E)-2-phenylethenyl]phenoxy]propan-1-ol?
3-[2-[(E)-2-phenylethenyl]phenoxy]propan-1-ol has a molecular weight of 254.33 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(E)-2-phenylethenyl]phenoxy]propan-1-ol is sourced from PubChem (CID 21078223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).