(E)-4-(2,3-dichlorophenyl)but-3-en-1-ol

C10H10Cl2O — CID 173173515

IUPAC(E)-4-(2,3-dichlorophenyl)but-3-en-1-ol
SMILESOCC/C=C/c1cccc(Cl)c1Cl
InChIInChI=1S/C10H10Cl2O/c11-9-6-3-5-8(10(9)12)4-1-2-7-13/h1,3-6,13H,2,7H2/b4-1+
InChIKeyIBAPQNDMSKXCTB-DAFODLJHSA-N
MW217.09 g/mol
LogP3.39
Rot. Bonds3

About (E)-4-(2,3-dichlorophenyl)but-3-en-1-ol

(E)-4-(2,3-dichlorophenyl)but-3-en-1-ol (PubChem CID 173173515) has the molecular formula C10H10Cl2O and a molecular weight of 217.09 g/mol. Its IUPAC name is (E)-4-(2,3-dichlorophenyl)but-3-en-1-ol.

Molecular Properties

Compound Name(E)-4-(2,3-dichlorophenyl)but-3-en-1-ol
PubChem CID173173515
Molecular FormulaC10H10Cl2O
Molecular Weight217.09 g/mol
Exact Mass216.01
IUPAC Name(E)-4-(2,3-dichlorophenyl)but-3-en-1-ol
SMILESOCC/C=C/c1cccc(Cl)c1Cl
InChIInChI=1S/C10H10Cl2O/c11-9-6-3-5-8(10(9)12)4-1-2-7-13/h1,3-6,13H,2,7H2/b4-1+
InChIKeyIBAPQNDMSKXCTB-DAFODLJHSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.09
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 91520067
2-chloro-3-(4-hydroxybut-1-enyl)phenol
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4-(2,3-dichlorophenyl)but-3-ene-1-thiol
CID 170477864
1,2-dichloro-3-(3-chloroprop-1-enyl)benzene
CID 79334722
1,7-bis(2,3-dichlorophenyl)hepta-1,6-dien-4-one
CID 141017477
N-[3-(2,3-dichlorophenyl)prop-2-enyl]acetamide
CID 169464992
4-(2-ethylphenyl)but-3-en-1-ol
CID 170476106
[(E)-2-(2,3-dichlorophenyl)ethenyl]boronic acid
CID 81222802
2-fluoro-6-(4-hydroxybut-1-enyl)phenol
CID 170476150
2-fluoro-6-(4-hydroxybut-1-enyl)benzonitrile
CID 170476567
(Z)-3-(2,3-dichlorophenyl)prop-2-enoic acid
CID 2412390
4-(2-amino-3-methylphenyl)but-3-en-1-ol
CID 170476272

Frequently Asked Questions

What is the IUPAC name of (E)-4-(2,3-dichlorophenyl)but-3-en-1-ol?
The IUPAC name of (E)-4-(2,3-dichlorophenyl)but-3-en-1-ol (CID 173173515) is (E)-4-(2,3-dichlorophenyl)but-3-en-1-ol.
What is the SMILES notation for (E)-4-(2,3-dichlorophenyl)but-3-en-1-ol?
The canonical SMILES for (E)-4-(2,3-dichlorophenyl)but-3-en-1-ol is OCC/C=C/c1cccc(Cl)c1Cl.
What is the InChIKey of (E)-4-(2,3-dichlorophenyl)but-3-en-1-ol?
The InChIKey is IBAPQNDMSKXCTB-DAFODLJHSA-N. The full InChI is InChI=1S/C10H10Cl2O/c11-9-6-3-5-8(10(9)12)4-1-2-7-13/h1,3-6,13H,2,7H2/b4-1+.
What are the key properties of (E)-4-(2,3-dichlorophenyl)but-3-en-1-ol?
(E)-4-(2,3-dichlorophenyl)but-3-en-1-ol has a molecular weight of 217.09 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2,3-dichlorophenyl)but-3-en-1-ol is sourced from PubChem (CID 173173515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).