1-chloro-3-(1-methoxyethyl)benzene

C9H11ClO — CID 19931374

IUPAC1-chloro-3-(1-methoxyethyl)benzene
SMILESCOC(C)c1cccc(Cl)c1
InChIInChI=1S/C9H11ClO/c1-7(11-2)8-4-3-5-9(10)6-8/h3-7H,1-2H3
InChIKeyNKZSXGYWQGPAFH-UHFFFAOYSA-N
MW170.64 g/mol
LogP3.05
Rot. Bonds2

About 1-chloro-3-(1-methoxyethyl)benzene

1-chloro-3-(1-methoxyethyl)benzene (PubChem CID 19931374) has the molecular formula C9H11ClO and a molecular weight of 170.64 g/mol. Its IUPAC name is 1-chloro-3-(1-methoxyethyl)benzene.

Molecular Properties

Compound Name1-chloro-3-(1-methoxyethyl)benzene
PubChem CID19931374
Molecular FormulaC9H11ClO
Molecular Weight170.64 g/mol
Exact Mass170.05
IUPAC Name1-chloro-3-(1-methoxyethyl)benzene
SMILESCOC(C)c1cccc(Cl)c1
InChIInChI=1S/C9H11ClO/c1-7(11-2)8-4-3-5-9(10)6-8/h3-7H,1-2H3
InChIKeyNKZSXGYWQGPAFH-UHFFFAOYSA-N
XLogP3.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(1R,2R)-1-(3-chlorophenyl)-2-methoxypropane-1,3-diol
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1-(1-methoxyethyl)-3-(methoxymethyl)benzene
CID 19879643
4-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxybutanamide;hydrochloride
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[1-(3-chlorophenyl)-3-methoxybutyl]hydrazine
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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(1-methoxyethyl)benzene?
The IUPAC name of 1-chloro-3-(1-methoxyethyl)benzene (CID 19931374) is 1-chloro-3-(1-methoxyethyl)benzene.
What is the SMILES notation for 1-chloro-3-(1-methoxyethyl)benzene?
The canonical SMILES for 1-chloro-3-(1-methoxyethyl)benzene is COC(C)c1cccc(Cl)c1.
What is the InChIKey of 1-chloro-3-(1-methoxyethyl)benzene?
The InChIKey is NKZSXGYWQGPAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO/c1-7(11-2)8-4-3-5-9(10)6-8/h3-7H,1-2H3.
What are the key properties of 1-chloro-3-(1-methoxyethyl)benzene?
1-chloro-3-(1-methoxyethyl)benzene has a molecular weight of 170.64 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(1-methoxyethyl)benzene is sourced from PubChem (CID 19931374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).