1,1,1-trichloro-3-phenylpenta-3,4-dien-2-ol

C11H9Cl3O — CID 134993712

IUPAC1,1,1-trichloro-3-phenylpenta-3,4-dien-2-ol
SMILESC=C=C(c1ccccc1)C(O)C(Cl)(Cl)Cl
InChIInChI=1S/C11H9Cl3O/c1-2-9(10(15)11(12,13)14)8-6-4-3-5-7-8/h3-7,10,15H,1H2
InChIKeyMTTIHSHUEVTJSS-UHFFFAOYSA-N
MW263.55 g/mol
LogP3.59
Rot. Bonds2

About 1,1,1-trichloro-3-phenylpenta-3,4-dien-2-ol

1,1,1-trichloro-3-phenylpenta-3,4-dien-2-ol (PubChem CID 134993712) has the molecular formula C11H9Cl3O and a molecular weight of 263.55 g/mol. Its IUPAC name is 1,1,1-trichloro-3-phenylpenta-3,4-dien-2-ol.

Molecular Properties

Compound Name1,1,1-trichloro-3-phenylpenta-3,4-dien-2-ol
PubChem CID134993712
Molecular FormulaC11H9Cl3O
Molecular Weight263.55 g/mol
Exact Mass261.97
IUPAC Name1,1,1-trichloro-3-phenylpenta-3,4-dien-2-ol
SMILESC=C=C(c1ccccc1)C(O)C(Cl)(Cl)Cl
InChIInChI=1S/C11H9Cl3O/c1-2-9(10(15)11(12,13)14)8-6-4-3-5-7-8/h3-7,10,15H,1H2
InChIKeyMTTIHSHUEVTJSS-UHFFFAOYSA-N
XLogP3.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.55
LogP ≤ 53.59
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

1,2-diphenylbuta-2,3-dien-1-ol
CID 10889496
4-methoxyhexa-1,2-dien-3-ylbenzene
CID 174694094
1-[2-(2-bromoprop-2-enoxy)phenyl]-2-phenylbuta-2,3-dien-1-ol
CID 54751770
diethyl 2-(3-phenylpenta-3,4-dien-2-yl)propanedioate
CID 12814273
(Z)-3-chloro-2,3-diphenylprop-2-enenitrile
CID 21395317
3-methyl-2-phenylbut-1-ene-1-thione
CID 12552721
1,2-diphenylbuta-2,3-dien-1-one
CID 44551870
3,3-dichloroprop-1-en-2-ylbenzene
CID 139684533
benzoic acid;ethene
CID 160765727
dichloro(phenyl)methanol
CID 25493
azanide;benzoic acid;copper(1+)
CID 174921142
1-di(propan-2-yloxy)phosphoryl-N,N-diethyl-2-phenylbuta-2,3-dien-1-amine
CID 10893868

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trichloro-3-phenylpenta-3,4-dien-2-ol?
The IUPAC name of 1,1,1-trichloro-3-phenylpenta-3,4-dien-2-ol (CID 134993712) is 1,1,1-trichloro-3-phenylpenta-3,4-dien-2-ol.
What is the SMILES notation for 1,1,1-trichloro-3-phenylpenta-3,4-dien-2-ol?
The canonical SMILES for 1,1,1-trichloro-3-phenylpenta-3,4-dien-2-ol is C=C=C(c1ccccc1)C(O)C(Cl)(Cl)Cl.
What is the InChIKey of 1,1,1-trichloro-3-phenylpenta-3,4-dien-2-ol?
The InChIKey is MTTIHSHUEVTJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl3O/c1-2-9(10(15)11(12,13)14)8-6-4-3-5-7-8/h3-7,10,15H,1H2.
What are the key properties of 1,1,1-trichloro-3-phenylpenta-3,4-dien-2-ol?
1,1,1-trichloro-3-phenylpenta-3,4-dien-2-ol has a molecular weight of 263.55 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trichloro-3-phenylpenta-3,4-dien-2-ol is sourced from PubChem (CID 134993712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).