2-tert-butyl-4-(4-chlorobut-1-enyl)phenol

C14H19ClO — CID 170499691

IUPAC2-tert-butyl-4-(4-chlorobut-1-enyl)phenol
SMILESCC(C)(C)c1cc(C=CCCCl)ccc1O
InChIInChI=1S/C14H19ClO/c1-14(2,3)12-10-11(6-4-5-9-15)7-8-13(12)16/h4,6-8,10,16H,5,9H2,1-3H3
InChIKeyRUMNZBNHSUSULR-UHFFFAOYSA-N
MW238.76 g/mol
LogP4.33
Rot. Bonds3

About 2-tert-butyl-4-(4-chlorobut-1-enyl)phenol

2-tert-butyl-4-(4-chlorobut-1-enyl)phenol (PubChem CID 170499691) has the molecular formula C14H19ClO and a molecular weight of 238.76 g/mol. Its IUPAC name is 2-tert-butyl-4-(4-chlorobut-1-enyl)phenol.

Molecular Properties

Compound Name2-tert-butyl-4-(4-chlorobut-1-enyl)phenol
PubChem CID170499691
Molecular FormulaC14H19ClO
Molecular Weight238.76 g/mol
Exact Mass238.11
IUPAC Name2-tert-butyl-4-(4-chlorobut-1-enyl)phenol
SMILESCC(C)(C)c1cc(C=CCCCl)ccc1O
InChIInChI=1S/C14H19ClO/c1-14(2,3)12-10-11(6-4-5-9-15)7-8-13(12)16/h4,6-8,10,16H,5,9H2,1-3H3
InChIKeyRUMNZBNHSUSULR-UHFFFAOYSA-N
XLogP4.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(4-chlorobut-1-enyl)-2-hydroxybenzamide
CID 170499566
4-(4-chlorobut-1-enyl)-2-hydroxybenzaldehyde
CID 170498999
4-(4-chlorobut-1-enyl)-2-nitrophenol
CID 170499602
1-(3-tert-butyl-4-hydroxyphenyl)-5,5-dimethylhex-1-en-3-one
CID 173361101
2-tert-butyl-4-[2-(3-tert-butyl-4-hydroxyphenyl)prop-1-enyl]phenol
CID 139786301
2-chloro-4-(4-chlorobut-1-enyl)-1-methylbenzene
CID 170498696
2-chloro-4-(4-chlorobut-1-enyl)-1-(trifluoromethyl)benzene
CID 170499629
4-[(E)-hept-1-enyl]benzene-1,2-diol
CID 19968505
N-[4-(4-chlorobut-1-enyl)phenyl]acetamide
CID 170499596
2-(4-chlorobut-1-enyl)benzene-1,3-diol
CID 170498728
4-(4-chlorobut-1-enyl)-2-methoxy-1-methylbenzene
CID 170499056
2-tert-butyl-4-(4-chlorobut-1-ynyl)phenol
CID 170468279

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(4-chlorobut-1-enyl)phenol?
The IUPAC name of 2-tert-butyl-4-(4-chlorobut-1-enyl)phenol (CID 170499691) is 2-tert-butyl-4-(4-chlorobut-1-enyl)phenol.
What is the SMILES notation for 2-tert-butyl-4-(4-chlorobut-1-enyl)phenol?
The canonical SMILES for 2-tert-butyl-4-(4-chlorobut-1-enyl)phenol is CC(C)(C)c1cc(C=CCCCl)ccc1O.
What is the InChIKey of 2-tert-butyl-4-(4-chlorobut-1-enyl)phenol?
The InChIKey is RUMNZBNHSUSULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO/c1-14(2,3)12-10-11(6-4-5-9-15)7-8-13(12)16/h4,6-8,10,16H,5,9H2,1-3H3.
What are the key properties of 2-tert-butyl-4-(4-chlorobut-1-enyl)phenol?
2-tert-butyl-4-(4-chlorobut-1-enyl)phenol has a molecular weight of 238.76 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(4-chlorobut-1-enyl)phenol is sourced from PubChem (CID 170499691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).