1-(2-chloroethoxy)-4-methoxybenzene

C9H11ClO2 — CID 10081150

IUPAC1-(2-chloroethoxy)-4-methoxybenzene
SMILESCOc1ccc(OCCCl)cc1
InChIInChI=1S/C9H11ClO2/c1-11-8-2-4-9(5-3-8)12-7-6-10/h2-5H,6-7H2,1H3
InChIKeyCAMJRUQPYAEKHX-UHFFFAOYSA-N
MW186.64 g/mol
LogP2.31
Rot. Bonds4

About 1-(2-chloroethoxy)-4-methoxybenzene

1-(2-chloroethoxy)-4-methoxybenzene (PubChem CID 10081150) has the molecular formula C9H11ClO2 and a molecular weight of 186.64 g/mol. Its IUPAC name is 1-(2-chloroethoxy)-4-methoxybenzene.

Molecular Properties

Compound Name1-(2-chloroethoxy)-4-methoxybenzene
PubChem CID10081150
Molecular FormulaC9H11ClO2
Molecular Weight186.64 g/mol
Exact Mass186.04
IUPAC Name1-(2-chloroethoxy)-4-methoxybenzene
SMILESCOc1ccc(OCCCl)cc1
InChIInChI=1S/C9H11ClO2/c1-11-8-2-4-9(5-3-8)12-7-6-10/h2-5H,6-7H2,1H3
InChIKeyCAMJRUQPYAEKHX-UHFFFAOYSA-N
XLogP2.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloropropoxy)-4-[(4-methoxyphenyl)methyl]benzene
CID 144539206
1,4-bis(3-chloropropoxy)benzene
CID 20523958
1-methoxy-4-[2-(4-methylphenoxy)ethoxy]benzene
CID 2284217
bis[4-(2-chloroethoxy)phenyl]iodanium
CID 20582192
ethane;1-methoxy-4-(4-methoxybutoxy)benzene
CID 143283261
ethane;1-methoxy-4-(3-methoxypropoxy)benzene
CID 143283206
2-(4-methoxyphenoxy)ethyl-trimethylazanium
CID 3026734
1-[3-(chloromethyl)pentoxy]-4-methoxybenzene
CID 66036581
1-methoxy-4-tetradecoxybenzene
CID 91712423
4-(2-chloroethoxy)benzonitrile
CID 12503864
2-(4-methoxyphenoxy)ethanesulfonyl chloride
CID 54594527
1-(2-chloroethoxy)-4-(2-methylprop-1-enyl)benzene
CID 151179000

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethoxy)-4-methoxybenzene?
The IUPAC name of 1-(2-chloroethoxy)-4-methoxybenzene (CID 10081150) is 1-(2-chloroethoxy)-4-methoxybenzene.
What is the SMILES notation for 1-(2-chloroethoxy)-4-methoxybenzene?
The canonical SMILES for 1-(2-chloroethoxy)-4-methoxybenzene is COc1ccc(OCCCl)cc1.
What is the InChIKey of 1-(2-chloroethoxy)-4-methoxybenzene?
The InChIKey is CAMJRUQPYAEKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO2/c1-11-8-2-4-9(5-3-8)12-7-6-10/h2-5H,6-7H2,1H3.
What are the key properties of 1-(2-chloroethoxy)-4-methoxybenzene?
1-(2-chloroethoxy)-4-methoxybenzene has a molecular weight of 186.64 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethoxy)-4-methoxybenzene is sourced from PubChem (CID 10081150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).