4-phenanthren-9-ylbut-3-en-1-ol

C18H16O — CID 170477535

IUPAC4-phenanthren-9-ylbut-3-en-1-ol
SMILESOCCC=Cc1cc2ccccc2c2ccccc12
InChIInChI=1S/C18H16O/c19-12-6-5-8-15-13-14-7-1-2-9-16(14)18-11-4-3-10-17(15)18/h1-5,7-11,13,19H,6,12H2
InChIKeyLLWJIQYJBBYQGH-UHFFFAOYSA-N
MW248.32 g/mol
LogP4.39
Rot. Bonds3

About 4-phenanthren-9-ylbut-3-en-1-ol

4-phenanthren-9-ylbut-3-en-1-ol (PubChem CID 170477535) has the molecular formula C18H16O and a molecular weight of 248.32 g/mol. Its IUPAC name is 4-phenanthren-9-ylbut-3-en-1-ol.

Molecular Properties

Compound Name4-phenanthren-9-ylbut-3-en-1-ol
PubChem CID170477535
Molecular FormulaC18H16O
Molecular Weight248.32 g/mol
Exact Mass248.12
IUPAC Name4-phenanthren-9-ylbut-3-en-1-ol
SMILESOCCC=Cc1cc2ccccc2c2ccccc12
InChIInChI=1S/C18H16O/c19-12-6-5-8-15-13-14-7-1-2-9-16(14)18-11-4-3-10-17(15)18/h1-5,7-11,13,19H,6,12H2
InChIKeyLLWJIQYJBBYQGH-UHFFFAOYSA-N
XLogP4.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-(4-azidobut-1-enyl)phenanthrene
CID 170486257
1-(4-hydroxybut-1-enyl)naphthalene-2-carbaldehyde
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1-(3-phenanthren-9-ylprop-2-enyl)benzotriazole
CID 4594407
4-naphthalen-2-ylbut-3-en-1-ol
CID 54291326
9-[2-[4-[4-(2-phenanthren-9-ylethenyl)phenyl]phenyl]ethenyl]phenanthrene
CID 76595771
4-dibenzofuran-4-ylbut-3-en-1-ol
CID 170477506
4-(2-ethylphenyl)but-3-en-1-ol
CID 170476106
(Z)-4-(2-methoxyphenyl)but-3-en-1-ol
CID 11789784
(E)-4-(2-methoxyphenyl)but-3-en-1-ol
CID 15330930
1-penta-1,4-dienylphenanthrene
CID 173210444
9-pent-1-enylanthracene
CID 173045692
2-chrysen-2-ylethanol
CID 87369474

Frequently Asked Questions

What is the IUPAC name of 4-phenanthren-9-ylbut-3-en-1-ol?
The IUPAC name of 4-phenanthren-9-ylbut-3-en-1-ol (CID 170477535) is 4-phenanthren-9-ylbut-3-en-1-ol.
What is the SMILES notation for 4-phenanthren-9-ylbut-3-en-1-ol?
The canonical SMILES for 4-phenanthren-9-ylbut-3-en-1-ol is OCCC=Cc1cc2ccccc2c2ccccc12.
What is the InChIKey of 4-phenanthren-9-ylbut-3-en-1-ol?
The InChIKey is LLWJIQYJBBYQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O/c19-12-6-5-8-15-13-14-7-1-2-9-16(14)18-11-4-3-10-17(15)18/h1-5,7-11,13,19H,6,12H2.
What are the key properties of 4-phenanthren-9-ylbut-3-en-1-ol?
4-phenanthren-9-ylbut-3-en-1-ol has a molecular weight of 248.32 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenanthren-9-ylbut-3-en-1-ol is sourced from PubChem (CID 170477535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).