2-[(Z)-but-2-enyl]-4,6-dichlorophenol

C10H10Cl2O — CID 92532445

IUPAC2-[(Z)-but-2-enyl]-4,6-dichlorophenol
SMILESC/C=C\Cc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C10H10Cl2O/c1-2-3-4-7-5-8(11)6-9(12)10(7)13/h2-3,5-6,13H,4H2,1H3/b3-2-
InChIKeyKJEMPNIRZOKIEU-IHWYPQMZSA-N
MW217.09 g/mol
LogP3.82
Rot. Bonds2

About 2-[(Z)-but-2-enyl]-4,6-dichlorophenol

2-[(Z)-but-2-enyl]-4,6-dichlorophenol (PubChem CID 92532445) has the molecular formula C10H10Cl2O and a molecular weight of 217.09 g/mol. Its IUPAC name is 2-[(Z)-but-2-enyl]-4,6-dichlorophenol.

Molecular Properties

Compound Name2-[(Z)-but-2-enyl]-4,6-dichlorophenol
PubChem CID92532445
Molecular FormulaC10H10Cl2O
Molecular Weight217.09 g/mol
Exact Mass216.01
IUPAC Name2-[(Z)-but-2-enyl]-4,6-dichlorophenol
SMILESC/C=C\Cc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C10H10Cl2O/c1-2-3-4-7-5-8(11)6-9(12)10(7)13/h2-3,5-6,13H,4H2,1H3/b3-2-
InChIKeyKJEMPNIRZOKIEU-IHWYPQMZSA-N
XLogP3.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.09
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-but-2-enyl-5-chloro-4-hydroxybenzonitrile
CID 67297014
4-but-2-enyl-2-(3-but-2-enyl-5-chloro-4-hydroxyphenyl)-6-chlorophenol
CID 77387302
1-but-2-enyl-2,4-dichlorobenzene
CID 70272980
3-(3,5-dichloro-2-hydroxyphenyl)propanoic acid
CID 54270247
2,4-dichloro-6-[2-(methylamino)ethyl]phenol
CID 83889183
2-(3,5-dichloro-2-hydroxyphenyl)acetic acid
CID 70463293
2-[(E)-but-2-enyl]-4,6-dimethylphenol
CID 131234251
2,4-dichloro-6-(3-methylpentyl)phenol
CID 143655603
2,4-dichloro-6-[[cyclopentyl(methyl)amino]methyl]phenol
CID 82974965
2-[(but-3-en-2-ylamino)methyl]-4,6-dichlorophenol
CID 115691167
3-[(3,5-dichloro-2-hydroxyphenyl)methylamino]propanamide
CID 43553259
2,4-dichloro-6-[(ethoxyamino)methyl]phenol
CID 82710474

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-but-2-enyl]-4,6-dichlorophenol?
The IUPAC name of 2-[(Z)-but-2-enyl]-4,6-dichlorophenol (CID 92532445) is 2-[(Z)-but-2-enyl]-4,6-dichlorophenol.
What is the SMILES notation for 2-[(Z)-but-2-enyl]-4,6-dichlorophenol?
The canonical SMILES for 2-[(Z)-but-2-enyl]-4,6-dichlorophenol is C/C=C\Cc1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2-[(Z)-but-2-enyl]-4,6-dichlorophenol?
The InChIKey is KJEMPNIRZOKIEU-IHWYPQMZSA-N. The full InChI is InChI=1S/C10H10Cl2O/c1-2-3-4-7-5-8(11)6-9(12)10(7)13/h2-3,5-6,13H,4H2,1H3/b3-2-.
What are the key properties of 2-[(Z)-but-2-enyl]-4,6-dichlorophenol?
2-[(Z)-but-2-enyl]-4,6-dichlorophenol has a molecular weight of 217.09 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-but-2-enyl]-4,6-dichlorophenol is sourced from PubChem (CID 92532445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).