1-chloro-2-(4-methoxybutoxy)benzene

C11H15ClO2 — CID 59339544

IUPAC1-chloro-2-(4-methoxybutoxy)benzene
SMILESCOCCCCOc1ccccc1Cl
InChIInChI=1S/C11H15ClO2/c1-13-8-4-5-9-14-11-7-3-2-6-10(11)12/h2-3,6-7H,4-5,8-9H2,1H3
InChIKeyRKQQDCRIDGIEFH-UHFFFAOYSA-N
MW214.69 g/mol
LogP3.15
Rot. Bonds6

About 1-chloro-2-(4-methoxybutoxy)benzene

1-chloro-2-(4-methoxybutoxy)benzene (PubChem CID 59339544) has the molecular formula C11H15ClO2 and a molecular weight of 214.69 g/mol. Its IUPAC name is 1-chloro-2-(4-methoxybutoxy)benzene.

Molecular Properties

Compound Name1-chloro-2-(4-methoxybutoxy)benzene
PubChem CID59339544
Molecular FormulaC11H15ClO2
Molecular Weight214.69 g/mol
Exact Mass214.08
IUPAC Name1-chloro-2-(4-methoxybutoxy)benzene
SMILESCOCCCCOc1ccccc1Cl
InChIInChI=1S/C11H15ClO2/c1-13-8-4-5-9-14-11-7-3-2-6-10(11)12/h2-3,6-7H,4-5,8-9H2,1H3
InChIKeyRKQQDCRIDGIEFH-UHFFFAOYSA-N
XLogP3.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.69
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-(4-methoxybutoxy)benzaldehyde
CID 104647699
1-(chloromethyl)-2-(4-methoxybutoxy)benzene
CID 104648077
1-chloro-2-(4-methylpentoxy)benzene
CID 59060951
2-[2-(2-chlorophenoxy)ethoxy]-1,3-dimethoxybenzene
CID 2283961
6-(2-chlorophenoxy)-N,N-diethylhexan-1-amine
CID 2232650
5-(2-chlorophenoxy)pentyl-diethylazanium
CID 2232789
1-(2-chlorophenoxy)-4-methoxybutan-2-amine
CID 117236727
N-butyl-5-(2-chlorophenoxy)pentan-1-amine
CID 2247459
1-chloro-2-(6-propan-2-ylsulfanylhexoxy)benzene
CID 2232763
4-(2-chlorophenoxy)-1-[4-(3-methoxypropanoyl)piperazin-1-yl]butan-1-one
CID 108536281
[2-(4-methoxybutoxy)phenyl]boronic acid
CID 104648198
3-(2-chlorophenoxy)propyl acetate
CID 59706608

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(4-methoxybutoxy)benzene?
The IUPAC name of 1-chloro-2-(4-methoxybutoxy)benzene (CID 59339544) is 1-chloro-2-(4-methoxybutoxy)benzene.
What is the SMILES notation for 1-chloro-2-(4-methoxybutoxy)benzene?
The canonical SMILES for 1-chloro-2-(4-methoxybutoxy)benzene is COCCCCOc1ccccc1Cl.
What is the InChIKey of 1-chloro-2-(4-methoxybutoxy)benzene?
The InChIKey is RKQQDCRIDGIEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO2/c1-13-8-4-5-9-14-11-7-3-2-6-10(11)12/h2-3,6-7H,4-5,8-9H2,1H3.
What are the key properties of 1-chloro-2-(4-methoxybutoxy)benzene?
1-chloro-2-(4-methoxybutoxy)benzene has a molecular weight of 214.69 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(4-methoxybutoxy)benzene is sourced from PubChem (CID 59339544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).