(E)-3-(2,3,4-trichlorophenyl)prop-2-en-1-ol

C9H7Cl3O — CID 173058709

IUPAC(E)-3-(2,3,4-trichlorophenyl)prop-2-en-1-ol
SMILESOC/C=C/c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C9H7Cl3O/c10-7-4-3-6(2-1-5-13)8(11)9(7)12/h1-4,13H,5H2/b2-1+
InChIKeyUZIUTHPSAXYMKN-OWOJBTEDSA-N
MW237.51 g/mol
LogP3.65
Rot. Bonds2

About (E)-3-(2,3,4-trichlorophenyl)prop-2-en-1-ol

(E)-3-(2,3,4-trichlorophenyl)prop-2-en-1-ol (PubChem CID 173058709) has the molecular formula C9H7Cl3O and a molecular weight of 237.51 g/mol. Its IUPAC name is (E)-3-(2,3,4-trichlorophenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(2,3,4-trichlorophenyl)prop-2-en-1-ol
PubChem CID173058709
Molecular FormulaC9H7Cl3O
Molecular Weight237.51 g/mol
Exact Mass235.96
IUPAC Name(E)-3-(2,3,4-trichlorophenyl)prop-2-en-1-ol
SMILESOC/C=C/c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C9H7Cl3O/c10-7-4-3-6(2-1-5-13)8(11)9(7)12/h1-4,13H,5H2/b2-1+
InChIKeyUZIUTHPSAXYMKN-OWOJBTEDSA-N
XLogP3.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.51
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(2-chloro-3,4-dimethoxyphenyl)prop-2-en-1-ol
CID 163198757
3-(5-amino-2-chlorophenyl)prop-2-en-1-ol
CID 169453032
(E)-4-(2,3-dichlorophenyl)but-3-en-1-ol
CID 173173515
2,5-dichloro-4-(3-hydroxyprop-1-enyl)phenol
CID 169453261
5-(2,3-dichlorophenyl)pent-4-en-1-ol
CID 91520067
3-(3-amino-4-chlorophenyl)prop-2-en-1-ol
CID 169453053
3-(3,5-dichloro-4-pyridinyl)prop-2-en-1-ol
CID 169453079
1,2-dichloro-3-(3-chloroprop-1-enyl)benzene
CID 79334722
4-[(E)-3-hydroxyprop-1-enyl]benzene-1,3-diol
CID 18539716
3-(2-chloroquinolin-3-yl)prop-2-en-1-ol
CID 54467536
1,7-bis(2,3-dichlorophenyl)hepta-1,6-dien-4-one
CID 141017477
3-(6-chloro-1H-indol-5-yl)prop-2-en-1-ol
CID 169453478

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,3,4-trichlorophenyl)prop-2-en-1-ol?
The IUPAC name of (E)-3-(2,3,4-trichlorophenyl)prop-2-en-1-ol (CID 173058709) is (E)-3-(2,3,4-trichlorophenyl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-(2,3,4-trichlorophenyl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-(2,3,4-trichlorophenyl)prop-2-en-1-ol is OC/C=C/c1ccc(Cl)c(Cl)c1Cl.
What is the InChIKey of (E)-3-(2,3,4-trichlorophenyl)prop-2-en-1-ol?
The InChIKey is UZIUTHPSAXYMKN-OWOJBTEDSA-N. The full InChI is InChI=1S/C9H7Cl3O/c10-7-4-3-6(2-1-5-13)8(11)9(7)12/h1-4,13H,5H2/b2-1+.
What are the key properties of (E)-3-(2,3,4-trichlorophenyl)prop-2-en-1-ol?
(E)-3-(2,3,4-trichlorophenyl)prop-2-en-1-ol has a molecular weight of 237.51 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,3,4-trichlorophenyl)prop-2-en-1-ol is sourced from PubChem (CID 173058709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).