(E)-2-tert-butyl-4-(2,4-dichlorophenoxy)but-2-en-1-ol

C14H18Cl2O2 — CID 20584580

IUPAC(E)-2-tert-butyl-4-(2,4-dichlorophenoxy)but-2-en-1-ol
SMILESCC(C)(C)/C(=C\COc1ccc(Cl)cc1Cl)CO
InChIInChI=1S/C14H18Cl2O2/c1-14(2,3)10(9-17)6-7-18-13-5-4-11(15)8-12(13)16/h4-6,8,17H,7,9H2,1-3H3/b10-6-
InChIKeyIIAOLASOLQXARB-POHAHGRESA-N
MW289.20 g/mol
LogP4.34
Rot. Bonds4

About (E)-2-tert-butyl-4-(2,4-dichlorophenoxy)but-2-en-1-ol

(E)-2-tert-butyl-4-(2,4-dichlorophenoxy)but-2-en-1-ol (PubChem CID 20584580) has the molecular formula C14H18Cl2O2 and a molecular weight of 289.20 g/mol. Its IUPAC name is (E)-2-tert-butyl-4-(2,4-dichlorophenoxy)but-2-en-1-ol.

Molecular Properties

Compound Name(E)-2-tert-butyl-4-(2,4-dichlorophenoxy)but-2-en-1-ol
PubChem CID20584580
Molecular FormulaC14H18Cl2O2
Molecular Weight289.20 g/mol
Exact Mass288.07
IUPAC Name(E)-2-tert-butyl-4-(2,4-dichlorophenoxy)but-2-en-1-ol
SMILESCC(C)(C)/C(=C\COc1ccc(Cl)cc1Cl)CO
InChIInChI=1S/C14H18Cl2O2/c1-14(2,3)10(9-17)6-7-18-13-5-4-11(15)8-12(13)16/h4-6,8,17H,7,9H2,1-3H3/b10-6-
InChIKeyIIAOLASOLQXARB-POHAHGRESA-N
XLogP4.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.20
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-chloro-4-[(4-chlorophenyl)diazenyl]phenoxy]-3,3-dimethylbutan-2-one
CID 88798454
2,4-dichloro-1-ethoxybenzene;formic acid
CID 145046183
1-(2,4-dichlorophenoxy)-2-phenylpropan-2-ol
CID 62373347
1-tert-butyl-3-[(2,4-dichlorophenoxy)methyl]urea
CID 108880884
1-N',5-N'-bis[2-(2,4-dichlorophenoxy)acetyl]pentanedihydrazide
CID 3363801
ethenyl 2-(2,4-dichlorophenoxy)acetate
CID 11806970
3-(2,4-dichlorophenoxy)-2,2-dimethylpropanamide
CID 82090673
(3,3-dimethylbut-1-en-2-ylamino) 2-(2,4-dichlorophenoxy)acetate
CID 2195214
2-(2,4-dichlorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide
CID 64555809
2-(2,4-dichlorophenoxy)-N-[(Z)-3,3-dimethylbutan-2-ylideneamino]acetamide
CID 6135498
2-(2,4-dichlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
CID 79291699
sodium 2-(2,4-dichlorophenoxy)acetic acid
CID 91996937

Frequently Asked Questions

What is the IUPAC name of (E)-2-tert-butyl-4-(2,4-dichlorophenoxy)but-2-en-1-ol?
The IUPAC name of (E)-2-tert-butyl-4-(2,4-dichlorophenoxy)but-2-en-1-ol (CID 20584580) is (E)-2-tert-butyl-4-(2,4-dichlorophenoxy)but-2-en-1-ol.
What is the SMILES notation for (E)-2-tert-butyl-4-(2,4-dichlorophenoxy)but-2-en-1-ol?
The canonical SMILES for (E)-2-tert-butyl-4-(2,4-dichlorophenoxy)but-2-en-1-ol is CC(C)(C)/C(=C\COc1ccc(Cl)cc1Cl)CO.
What is the InChIKey of (E)-2-tert-butyl-4-(2,4-dichlorophenoxy)but-2-en-1-ol?
The InChIKey is IIAOLASOLQXARB-POHAHGRESA-N. The full InChI is InChI=1S/C14H18Cl2O2/c1-14(2,3)10(9-17)6-7-18-13-5-4-11(15)8-12(13)16/h4-6,8,17H,7,9H2,1-3H3/b10-6-.
What are the key properties of (E)-2-tert-butyl-4-(2,4-dichlorophenoxy)but-2-en-1-ol?
(E)-2-tert-butyl-4-(2,4-dichlorophenoxy)but-2-en-1-ol has a molecular weight of 289.20 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-tert-butyl-4-(2,4-dichlorophenoxy)but-2-en-1-ol is sourced from PubChem (CID 20584580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).