1-butan-2-yloxy-4-chlorobenzene

C10H13ClO — CID 14121698

IUPAC1-butan-2-yloxy-4-chlorobenzene
SMILESCCC(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C10H13ClO/c1-3-8(2)12-10-6-4-9(11)5-7-10/h4-8H,3H2,1-2H3
InChIKeyAYJCJSFXPWYBMS-UHFFFAOYSA-N
MW184.67 g/mol
LogP3.52
Rot. Bonds3

About 1-butan-2-yloxy-4-chlorobenzene

1-butan-2-yloxy-4-chlorobenzene (PubChem CID 14121698) has the molecular formula C10H13ClO and a molecular weight of 184.67 g/mol. Its IUPAC name is 1-butan-2-yloxy-4-chlorobenzene.

Molecular Properties

Compound Name1-butan-2-yloxy-4-chlorobenzene
PubChem CID14121698
Molecular FormulaC10H13ClO
Molecular Weight184.67 g/mol
Exact Mass184.07
IUPAC Name1-butan-2-yloxy-4-chlorobenzene
SMILESCCC(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C10H13ClO/c1-3-8(2)12-10-6-4-9(11)5-7-10/h4-8H,3H2,1-2H3
InChIKeyAYJCJSFXPWYBMS-UHFFFAOYSA-N
XLogP3.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-butan-2-yloxyphenyl)methyl]-4-chloroaniline
CID 54796354
4-butan-2-yloxyaniline
CID 13097722
4-butan-2-yloxy-N-methylaniline
CID 54803415
(1R)-1-(4-butan-2-yloxyphenyl)propan-1-amine
CID 78937309
1-chloro-4-(1-chlorobutan-2-yloxy)benzene
CID 70462784
4-(4-chlorophenoxy)-N-methylpentan-2-amine
CID 64720466
4-(4-chlorophenoxy)pentan-2-one
CID 64698945
4-[(2S)-butan-2-yl]oxybenzenesulfonyl chloride
CID 98235111
1-chloro-4-(1-chloroethoxy)benzene
CID 13323363
2-(4-chlorophenoxy)propyl propanoate
CID 174445519
bis[4-[(2R)-butan-2-yl]oxyphenyl]methanone
CID 131860857
(4-butan-2-yloxyphenyl)hydrazine
CID 83814217

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yloxy-4-chlorobenzene?
The IUPAC name of 1-butan-2-yloxy-4-chlorobenzene (CID 14121698) is 1-butan-2-yloxy-4-chlorobenzene.
What is the SMILES notation for 1-butan-2-yloxy-4-chlorobenzene?
The canonical SMILES for 1-butan-2-yloxy-4-chlorobenzene is CCC(C)Oc1ccc(Cl)cc1.
What is the InChIKey of 1-butan-2-yloxy-4-chlorobenzene?
The InChIKey is AYJCJSFXPWYBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO/c1-3-8(2)12-10-6-4-9(11)5-7-10/h4-8H,3H2,1-2H3.
What are the key properties of 1-butan-2-yloxy-4-chlorobenzene?
1-butan-2-yloxy-4-chlorobenzene has a molecular weight of 184.67 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yloxy-4-chlorobenzene is sourced from PubChem (CID 14121698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).