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

C11H12Cl2O — CID 103091134

IUPAC(E)-4-(2,4-dichlorophenyl)-3-methylbut-3-en-2-ol
SMILESC/C(=C\c1ccc(Cl)cc1Cl)C(C)O
InChIInChI=1S/C11H12Cl2O/c1-7(8(2)14)5-9-3-4-10(12)6-11(9)13/h3-6,8,14H,1-2H3/b7-5+
InChIKeyBVJSAZQKYQBONW-FNORWQNLSA-N
MW231.12 g/mol
LogP3.78
Rot. Bonds2

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

(E)-4-(2,4-dichlorophenyl)-3-methylbut-3-en-2-ol (PubChem CID 103091134) has the molecular formula C11H12Cl2O and a molecular weight of 231.12 g/mol. Its IUPAC name is (E)-4-(2,4-dichlorophenyl)-3-methylbut-3-en-2-ol.

Molecular Properties

Compound Name(E)-4-(2,4-dichlorophenyl)-3-methylbut-3-en-2-ol
PubChem CID103091134
Molecular FormulaC11H12Cl2O
Molecular Weight231.12 g/mol
Exact Mass230.03
IUPAC Name(E)-4-(2,4-dichlorophenyl)-3-methylbut-3-en-2-ol
SMILESC/C(=C\c1ccc(Cl)cc1Cl)C(C)O
InChIInChI=1S/C11H12Cl2O/c1-7(8(2)14)5-9-3-4-10(12)6-11(9)13/h3-6,8,14H,1-2H3/b7-5+
InChIKeyBVJSAZQKYQBONW-FNORWQNLSA-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

3-(2,4-dichlorophenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
CID 79340831
1-(2,4-dichlorophenyl)-N-propan-2-yloxyprop-1-en-2-amine
CID 91236046
5-(2,4-dichlorophenyl)-2,4-dimethylpent-4-enal
CID 54123935
2,4-dichloro-1-(2,2-difluoroethenyl)benzene
CID 101499085
3-(2,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79338180
(E)-4-(4-chloro-2-fluorophenyl)-3-methylbut-3-en-2-amine
CID 103091665
2-[(2,4-dichlorophenyl)methylidene]-4-methyl-3-oxopentanenitrile
CID 47241595
N-[(Z)-1-(2,4-dichlorophenyl)-2-hydroxy-3,4-dimethylpent-1-en-3-yl]formamide
CID 89145055
N-[3-(2,4-dichlorophenyl)-2-methylprop-2-enyl]cyclopropanamine
CID 79340534
(Z)-2-[aminomethyl-[(propan-2-ylamino)methyl]amino]-3-(2,4-dichlorophenyl)prop-2-enenitrile
CID 163836349
(Z)-3-(2,4-dichlorophenyl)-2-phenylprop-2-enoic acid
CID 43132115
2,4-dichloro-1-(2-chloroethenyl)benzene
CID 609851

Frequently Asked Questions

What is the IUPAC name of (E)-4-(2,4-dichlorophenyl)-3-methylbut-3-en-2-ol?
The IUPAC name of (E)-4-(2,4-dichlorophenyl)-3-methylbut-3-en-2-ol (CID 103091134) is (E)-4-(2,4-dichlorophenyl)-3-methylbut-3-en-2-ol.
What is the SMILES notation for (E)-4-(2,4-dichlorophenyl)-3-methylbut-3-en-2-ol?
The canonical SMILES for (E)-4-(2,4-dichlorophenyl)-3-methylbut-3-en-2-ol is C/C(=C\c1ccc(Cl)cc1Cl)C(C)O.
What is the InChIKey of (E)-4-(2,4-dichlorophenyl)-3-methylbut-3-en-2-ol?
The InChIKey is BVJSAZQKYQBONW-FNORWQNLSA-N. The full InChI is InChI=1S/C11H12Cl2O/c1-7(8(2)14)5-9-3-4-10(12)6-11(9)13/h3-6,8,14H,1-2H3/b7-5+.
What are the key properties of (E)-4-(2,4-dichlorophenyl)-3-methylbut-3-en-2-ol?
(E)-4-(2,4-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-(2,4-dichlorophenyl)-3-methylbut-3-en-2-ol is sourced from PubChem (CID 103091134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).