3-[2-(4-chlorobut-1-enyl)phenyl]propan-1-ol

C13H17ClO — CID 170499437

IUPAC3-[2-(4-chlorobut-1-enyl)phenyl]propan-1-ol
SMILESOCCCc1ccccc1C=CCCCl
InChIInChI=1S/C13H17ClO/c14-10-4-3-8-12-6-1-2-7-13(12)9-5-11-15/h1-3,6-8,15H,4-5,9-11H2
InChIKeyIFPDCRSRKFAONM-UHFFFAOYSA-N
MW224.73 g/mol
LogP3.25
Rot. Bonds6

About 3-[2-(4-chlorobut-1-enyl)phenyl]propan-1-ol

3-[2-(4-chlorobut-1-enyl)phenyl]propan-1-ol (PubChem CID 170499437) has the molecular formula C13H17ClO and a molecular weight of 224.73 g/mol. Its IUPAC name is 3-[2-(4-chlorobut-1-enyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-(4-chlorobut-1-enyl)phenyl]propan-1-ol
PubChem CID170499437
Molecular FormulaC13H17ClO
Molecular Weight224.73 g/mol
Exact Mass224.10
IUPAC Name3-[2-(4-chlorobut-1-enyl)phenyl]propan-1-ol
SMILESOCCCc1ccccc1C=CCCCl
InChIInChI=1S/C13H17ClO/c14-10-4-3-8-12-6-1-2-7-13(12)9-5-11-15/h1-3,6-8,15H,4-5,9-11H2
InChIKeyIFPDCRSRKFAONM-UHFFFAOYSA-N
XLogP3.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[4-[2-(3-hydroxypropyl)phenyl]but-3-enyl]carbamate
CID 170494351
4-(2-ethylphenyl)but-3-en-1-ol
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1-pentadecyl-2-[(E)-pent-1-enyl]benzene
CID 21273097
N-[[2-(4-chlorobut-1-enyl)phenyl]methylidene]hydroxylamine
CID 170499230
4-[2-(2-hydroxyethyl)phenyl]but-3-enenitrile
CID 170799606
[2-[(Z)-dodec-1-enyl]phenyl]methanol
CID 124635447
3-(4-chlorobut-1-enyl)-2-methylphenol
CID 154254910
(E)-6-(2-nonylphenyl)hex-5-enoic acid
CID 21273106
(E)-3-[2-(hydroxymethyl)phenyl]prop-2-en-1-ol
CID 14397663
1-(4-chlorobut-1-enyl)-2-ethoxybenzene
CID 79602930
5-(2,3-dichlorophenyl)pent-4-en-1-ol
CID 91520067
2-[(E)-4-chlorobut-1-enyl]aniline;ethenamine
CID 144811193

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorobut-1-enyl)phenyl]propan-1-ol?
The IUPAC name of 3-[2-(4-chlorobut-1-enyl)phenyl]propan-1-ol (CID 170499437) is 3-[2-(4-chlorobut-1-enyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-[2-(4-chlorobut-1-enyl)phenyl]propan-1-ol?
The canonical SMILES for 3-[2-(4-chlorobut-1-enyl)phenyl]propan-1-ol is OCCCc1ccccc1C=CCCCl.
What is the InChIKey of 3-[2-(4-chlorobut-1-enyl)phenyl]propan-1-ol?
The InChIKey is IFPDCRSRKFAONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO/c14-10-4-3-8-12-6-1-2-7-13(12)9-5-11-15/h1-3,6-8,15H,4-5,9-11H2.
What are the key properties of 3-[2-(4-chlorobut-1-enyl)phenyl]propan-1-ol?
3-[2-(4-chlorobut-1-enyl)phenyl]propan-1-ol has a molecular weight of 224.73 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorobut-1-enyl)phenyl]propan-1-ol is sourced from PubChem (CID 170499437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).