1-chloro-4-(3-methoxy-3-methylbutoxy)benzene

C12H17ClO2 — CID 102974966

IUPAC1-chloro-4-(3-methoxy-3-methylbutoxy)benzene
SMILESCOC(C)(C)CCOc1ccc(Cl)cc1
InChIInChI=1S/C12H17ClO2/c1-12(2,14-3)8-9-15-11-6-4-10(13)5-7-11/h4-7H,8-9H2,1-3H3
InChIKeyNNWWDJYORVFASS-UHFFFAOYSA-N
MW228.72 g/mol
LogP3.53
Rot. Bonds5

About 1-chloro-4-(3-methoxy-3-methylbutoxy)benzene

1-chloro-4-(3-methoxy-3-methylbutoxy)benzene (PubChem CID 102974966) has the molecular formula C12H17ClO2 and a molecular weight of 228.72 g/mol. Its IUPAC name is 1-chloro-4-(3-methoxy-3-methylbutoxy)benzene.

Molecular Properties

Compound Name1-chloro-4-(3-methoxy-3-methylbutoxy)benzene
PubChem CID102974966
Molecular FormulaC12H17ClO2
Molecular Weight228.72 g/mol
Exact Mass228.09
IUPAC Name1-chloro-4-(3-methoxy-3-methylbutoxy)benzene
SMILESCOC(C)(C)CCOc1ccc(Cl)cc1
InChIInChI=1S/C12H17ClO2/c1-12(2,14-3)8-9-15-11-6-4-10(13)5-7-11/h4-7H,8-9H2,1-3H3
InChIKeyNNWWDJYORVFASS-UHFFFAOYSA-N
XLogP3.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chlorophenoxy)-2,2-dimethylbutanenitrile
CID 65251873
(NE)-N-[1-[4-(3-methoxy-3-methylbutoxy)phenyl]ethylidene]hydroxylamine
CID 103033958
1-[4-(3-methoxy-3-methylbutoxy)phenyl]-N-methylethanamine
CID 103032686
N'-hydroxy-4-(3-methoxy-3-methylbutoxy)benzenecarboximidamide
CID 103033917
3-(4-chlorophenoxy)-1-iodopropane-1,1-diol
CID 138556597
2-[4-[2-(3-methoxy-3-methylbutoxy)ethoxy]phenyl]ethanamine
CID 106665158
1-bromo-4-(3-methoxy-3-methylbutoxy)-2-methylbenzene
CID 103033816
3-(3-methoxy-3-methylbutoxy)pyridine
CID 103037636
3-(3-methoxy-3-methylbutoxy)phenol
CID 59527181
1-chloro-4-[1-chloro-5-(4-chlorophenoxy)-3,3-dimethylpent-1-enoxy]benzene
CID 54255953
[4-(3-methoxy-3-methylbutoxy)-2-methylphenyl]boronic acid
CID 103034423
5-(3-methoxy-3-methylbutoxy)pyridine-2-carbaldehyde
CID 103033835

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(3-methoxy-3-methylbutoxy)benzene?
The IUPAC name of 1-chloro-4-(3-methoxy-3-methylbutoxy)benzene (CID 102974966) is 1-chloro-4-(3-methoxy-3-methylbutoxy)benzene.
What is the SMILES notation for 1-chloro-4-(3-methoxy-3-methylbutoxy)benzene?
The canonical SMILES for 1-chloro-4-(3-methoxy-3-methylbutoxy)benzene is COC(C)(C)CCOc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-(3-methoxy-3-methylbutoxy)benzene?
The InChIKey is NNWWDJYORVFASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO2/c1-12(2,14-3)8-9-15-11-6-4-10(13)5-7-11/h4-7H,8-9H2,1-3H3.
What are the key properties of 1-chloro-4-(3-methoxy-3-methylbutoxy)benzene?
1-chloro-4-(3-methoxy-3-methylbutoxy)benzene has a molecular weight of 228.72 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(3-methoxy-3-methylbutoxy)benzene is sourced from PubChem (CID 102974966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).