(E)-4-(2,3-dichlorophenyl)-3-methylbut-3-en-2-ol

C11H12Cl2O — CID 103091079

IUPAC(E)-4-(2,3-dichlorophenyl)-3-methylbut-3-en-2-ol
SMILESC/C(=C\c1cccc(Cl)c1Cl)C(C)O
InChIInChI=1S/C11H12Cl2O/c1-7(8(2)14)6-9-4-3-5-10(12)11(9)13/h3-6,8,14H,1-2H3/b7-6+
InChIKeyOVOPIQUTGIIRDX-VOTSOKGWSA-N
MW231.12 g/mol
LogP3.78
Rot. Bonds2

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

(E)-4-(2,3-dichlorophenyl)-3-methylbut-3-en-2-ol (PubChem CID 103091079) has the molecular formula C11H12Cl2O and a molecular weight of 231.12 g/mol. Its IUPAC name is (E)-4-(2,3-dichlorophenyl)-3-methylbut-3-en-2-ol.

Molecular Properties

Compound Name(E)-4-(2,3-dichlorophenyl)-3-methylbut-3-en-2-ol
PubChem CID103091079
Molecular FormulaC11H12Cl2O
Molecular Weight231.12 g/mol
Exact Mass230.03
IUPAC Name(E)-4-(2,3-dichlorophenyl)-3-methylbut-3-en-2-ol
SMILESC/C(=C\c1cccc(Cl)c1Cl)C(C)O
InChIInChI=1S/C11H12Cl2O/c1-7(8(2)14)6-9-4-3-5-10(12)11(9)13/h3-6,8,14H,1-2H3/b7-6+
InChIKeyOVOPIQUTGIIRDX-VOTSOKGWSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.12
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2,3-dichlorophenyl)methylidene]-N,3-dimethylbutan-1-amine
CID 79338600
(E)-4-(2,4-dichlorophenyl)-3-methylbut-3-en-2-ol
CID 103091134
(Z)-4-(2-ethylphenyl)-3-methylbut-3-en-2-ol
CID 103091261
(E)-4-(5-chloroquinolin-8-yl)-3-methylbut-3-en-2-ol
CID 103091147
2,3-dichlorobenzaldehyde;methanol
CID 162040206
2-[(2,3-dichlorophenyl)methylidene]butan-1-ol
CID 79334969
1,2-dichloro-3-ethenylbenzene;prop-2-enoic acid
CID 174953913
(1Z)-1-(2,3-dichlorophenyl)-3-methoxybuta-1,3-dien-2-amine
CID 170229352
2-[(2,3-dichlorophenyl)methylidene]-N-methylbutan-1-amine
CID 79328932
N-[3-(2,3-dichlorophenyl)prop-2-enyl]acetamide
CID 169464992
1-(2,3-dichlorophenyl)propan-2-ol;methanol
CID 144705964
2,3-dichlorophenol;2-hydroxypropanoic acid
CID 163936283

Frequently Asked Questions

What is the IUPAC name of (E)-4-(2,3-dichlorophenyl)-3-methylbut-3-en-2-ol?
The IUPAC name of (E)-4-(2,3-dichlorophenyl)-3-methylbut-3-en-2-ol (CID 103091079) is (E)-4-(2,3-dichlorophenyl)-3-methylbut-3-en-2-ol.
What is the SMILES notation for (E)-4-(2,3-dichlorophenyl)-3-methylbut-3-en-2-ol?
The canonical SMILES for (E)-4-(2,3-dichlorophenyl)-3-methylbut-3-en-2-ol is C/C(=C\c1cccc(Cl)c1Cl)C(C)O.
What is the InChIKey of (E)-4-(2,3-dichlorophenyl)-3-methylbut-3-en-2-ol?
The InChIKey is OVOPIQUTGIIRDX-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H12Cl2O/c1-7(8(2)14)6-9-4-3-5-10(12)11(9)13/h3-6,8,14H,1-2H3/b7-6+.
What are the key properties of (E)-4-(2,3-dichlorophenyl)-3-methylbut-3-en-2-ol?
(E)-4-(2,3-dichlorophenyl)-3-methylbut-3-en-2-ol has a molecular weight of 231.12 g/mol, XLogP of 3.78, 2 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)-3-methylbut-3-en-2-ol is sourced from PubChem (CID 103091079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).