1-butan-2-yl-4-[(E)-3-chloro-2-methylprop-2-enoxy]benzene

C14H19ClO — CID 106440303

IUPAC1-butan-2-yl-4-[(E)-3-chloro-2-methylprop-2-enoxy]benzene
SMILESCCC(C)c1ccc(OC/C(C)=C/Cl)cc1
InChIInChI=1S/C14H19ClO/c1-4-12(3)13-5-7-14(8-6-13)16-10-11(2)9-15/h5-9,12H,4,10H2,1-3H3/b11-9+
InChIKeyPWALVVCOLJREFY-PKNBQFBNSA-N
MW238.76 g/mol
LogP4.72
Rot. Bonds5

About 1-butan-2-yl-4-[(E)-3-chloro-2-methylprop-2-enoxy]benzene

1-butan-2-yl-4-[(E)-3-chloro-2-methylprop-2-enoxy]benzene (PubChem CID 106440303) has the molecular formula C14H19ClO and a molecular weight of 238.76 g/mol. Its IUPAC name is 1-butan-2-yl-4-[(E)-3-chloro-2-methylprop-2-enoxy]benzene.

Molecular Properties

Compound Name1-butan-2-yl-4-[(E)-3-chloro-2-methylprop-2-enoxy]benzene
PubChem CID106440303
Molecular FormulaC14H19ClO
Molecular Weight238.76 g/mol
Exact Mass238.11
IUPAC Name1-butan-2-yl-4-[(E)-3-chloro-2-methylprop-2-enoxy]benzene
SMILESCCC(C)c1ccc(OC/C(C)=C/Cl)cc1
InChIInChI=1S/C14H19ClO/c1-4-12(3)13-5-7-14(8-6-13)16-10-11(2)9-15/h5-9,12H,4,10H2,1-3H3/b11-9+
InChIKeyPWALVVCOLJREFY-PKNBQFBNSA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-[4-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]propan-1-ol
CID 106438842
1-(4-butan-2-ylphenoxy)propan-2-one
CID 59101826
tert-butyl 2-(4-butan-2-ylphenoxy)acetate
CID 18731020
methyl 2-[(4-butan-2-ylphenoxy)methyl]prop-2-enoate
CID 22894436
methyl 3-[2-[2-(4-butan-2-ylphenoxy)acetyl]hydrazinyl]-3-oxopropanoate
CID 43886949
2-(4-butan-2-ylphenoxy)-1-piperidin-1-ylethanone
CID 103599891
2-(4-butan-2-ylphenoxy)-N-methylethanamine
CID 107664179
1-(4-butan-2-ylphenoxy)butan-2-amine
CID 107664163
(E)-4-(4-butan-2-ylphenoxy)but-2-enoic acid
CID 107663461
(1R)-1-[4-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine
CID 79168187
1-butan-2-yl-4-propan-2-yloxybenzene
CID 18730967
1-butan-2-yl-4-(3,3-dimethylbutoxy)benzene
CID 70947393

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-[(E)-3-chloro-2-methylprop-2-enoxy]benzene?
The IUPAC name of 1-butan-2-yl-4-[(E)-3-chloro-2-methylprop-2-enoxy]benzene (CID 106440303) is 1-butan-2-yl-4-[(E)-3-chloro-2-methylprop-2-enoxy]benzene.
What is the SMILES notation for 1-butan-2-yl-4-[(E)-3-chloro-2-methylprop-2-enoxy]benzene?
The canonical SMILES for 1-butan-2-yl-4-[(E)-3-chloro-2-methylprop-2-enoxy]benzene is CCC(C)c1ccc(OC/C(C)=C/Cl)cc1.
What is the InChIKey of 1-butan-2-yl-4-[(E)-3-chloro-2-methylprop-2-enoxy]benzene?
The InChIKey is PWALVVCOLJREFY-PKNBQFBNSA-N. The full InChI is InChI=1S/C14H19ClO/c1-4-12(3)13-5-7-14(8-6-13)16-10-11(2)9-15/h5-9,12H,4,10H2,1-3H3/b11-9+.
What are the key properties of 1-butan-2-yl-4-[(E)-3-chloro-2-methylprop-2-enoxy]benzene?
1-butan-2-yl-4-[(E)-3-chloro-2-methylprop-2-enoxy]benzene has a molecular weight of 238.76 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-[(E)-3-chloro-2-methylprop-2-enoxy]benzene is sourced from PubChem (CID 106440303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).