1-chloro-4-phenylbuta-1,3-dien-1-ol

C10H9ClO — CID 88848274

IUPAC1-chloro-4-phenylbuta-1,3-dien-1-ol
SMILESOC(Cl)=CC=Cc1ccccc1
InChIInChI=1S/C10H9ClO/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-8,12H
InChIKeyVTOAMGNGNIRGAI-UHFFFAOYSA-N
MW180.63 g/mol
LogP3.34
Rot. Bonds2

About 1-chloro-4-phenylbuta-1,3-dien-1-ol

1-chloro-4-phenylbuta-1,3-dien-1-ol (PubChem CID 88848274) has the molecular formula C10H9ClO and a molecular weight of 180.63 g/mol. Its IUPAC name is 1-chloro-4-phenylbuta-1,3-dien-1-ol.

Molecular Properties

Compound Name1-chloro-4-phenylbuta-1,3-dien-1-ol
PubChem CID88848274
Molecular FormulaC10H9ClO
Molecular Weight180.63 g/mol
Exact Mass180.03
IUPAC Name1-chloro-4-phenylbuta-1,3-dien-1-ol
SMILESOC(Cl)=CC=Cc1ccccc1
InChIInChI=1S/C10H9ClO/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-8,12H
InChIKeyVTOAMGNGNIRGAI-UHFFFAOYSA-N
XLogP3.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.63
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-methylpenta-1,3-dienylbenzene
CID 3614395
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
4-phenylbuta-1,3-dienylbenzene
CID 162273071
N-(1-chloro-4-phenylbuta-1,3-dienyl)aniline
CID 174492569
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219
[4-(benzenesulfinyl)-4-chlorobuta-1,3-dienyl]benzene
CID 819522
[(1E)-4-bromo-4-fluorobuta-1,3-dienyl]benzene
CID 134853789
(5-chloro-4-methylpenta-1,3-dienyl)benzene
CID 79323612
CID 11087023
CID 11087023
trimethyl-(4-phenyl-1-trimethylsilylbuta-1,3-dienyl)silane
CID 71383002
1-(4,4-diphenylbuta-1,3-dienyl)-4-(4-phenylbuta-1,3-dienyl)benzene
CID 173138979
(3-methyl-6-phenylhexa-1,3,5-trienyl)benzene
CID 618811

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-phenylbuta-1,3-dien-1-ol?
The IUPAC name of 1-chloro-4-phenylbuta-1,3-dien-1-ol (CID 88848274) is 1-chloro-4-phenylbuta-1,3-dien-1-ol.
What is the SMILES notation for 1-chloro-4-phenylbuta-1,3-dien-1-ol?
The canonical SMILES for 1-chloro-4-phenylbuta-1,3-dien-1-ol is OC(Cl)=CC=Cc1ccccc1.
What is the InChIKey of 1-chloro-4-phenylbuta-1,3-dien-1-ol?
The InChIKey is VTOAMGNGNIRGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-8,12H.
What are the key properties of 1-chloro-4-phenylbuta-1,3-dien-1-ol?
1-chloro-4-phenylbuta-1,3-dien-1-ol has a molecular weight of 180.63 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-phenylbuta-1,3-dien-1-ol is sourced from PubChem (CID 88848274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).