1-(3-chloro-2-methylpropoxy)-4-ethyl-2-methoxybenzene

C13H19ClO2 — CID 107664506

IUPAC1-(3-chloro-2-methylpropoxy)-4-ethyl-2-methoxybenzene
SMILESCCc1ccc(OCC(C)CCl)c(OC)c1
InChIInChI=1S/C13H19ClO2/c1-4-11-5-6-12(13(7-11)15-3)16-9-10(2)8-14/h5-7,10H,4,8-9H2,1-3H3
InChIKeyOJCXQTQDWDGKMR-UHFFFAOYSA-N
MW242.75 g/mol
LogP3.51
Rot. Bonds6

About 1-(3-chloro-2-methylpropoxy)-4-ethyl-2-methoxybenzene

1-(3-chloro-2-methylpropoxy)-4-ethyl-2-methoxybenzene (PubChem CID 107664506) has the molecular formula C13H19ClO2 and a molecular weight of 242.75 g/mol. Its IUPAC name is 1-(3-chloro-2-methylpropoxy)-4-ethyl-2-methoxybenzene.

Molecular Properties

Compound Name1-(3-chloro-2-methylpropoxy)-4-ethyl-2-methoxybenzene
PubChem CID107664506
Molecular FormulaC13H19ClO2
Molecular Weight242.75 g/mol
Exact Mass242.11
IUPAC Name1-(3-chloro-2-methylpropoxy)-4-ethyl-2-methoxybenzene
SMILESCCc1ccc(OCC(C)CCl)c(OC)c1
InChIInChI=1S/C13H19ClO2/c1-4-11-5-6-12(13(7-11)15-3)16-9-10(2)8-14/h5-7,10H,4,8-9H2,1-3H3
InChIKeyOJCXQTQDWDGKMR-UHFFFAOYSA-N
XLogP3.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 53.51
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-(5-chloro-3-methylpentoxy)-4-ethyl-2-methoxybenzene
CID 107664504
4-(3-chloro-2-methylpropyl)-1,2-dimethoxybenzene
CID 64666940
1-[2-(bromomethyl)butoxy]-4-ethyl-2-methoxybenzene
CID 107664512
1-(4-ethyl-2-methoxyphenoxy)-N-propylbutan-2-amine
CID 107664411
[3-methoxy-4-(2-methylpentoxy)phenyl]methanol
CID 55055291
1-(4-ethyl-2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 107664454
ethane;4-ethyl-1-methoxy-2-propan-2-ylbenzene
CID 142904344
2-(4-ethyl-2-methoxyphenoxy)ethanol
CID 67567470
chloro-(5-ethyl-2-methoxyphenyl)methanamine
CID 116947761
2-(cyclopropylamino)-3-(4-ethyl-2-methoxyphenoxy)propan-1-ol
CID 107669202
4-(bromomethyl)-2-methoxy-1-(2-methylpropoxy)benzene
CID 43141726
(2S)-2-(4-ethyl-2-methoxyphenoxy)propanoic acid
CID 107663541

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylpropoxy)-4-ethyl-2-methoxybenzene?
The IUPAC name of 1-(3-chloro-2-methylpropoxy)-4-ethyl-2-methoxybenzene (CID 107664506) is 1-(3-chloro-2-methylpropoxy)-4-ethyl-2-methoxybenzene.
What is the SMILES notation for 1-(3-chloro-2-methylpropoxy)-4-ethyl-2-methoxybenzene?
The canonical SMILES for 1-(3-chloro-2-methylpropoxy)-4-ethyl-2-methoxybenzene is CCc1ccc(OCC(C)CCl)c(OC)c1.
What is the InChIKey of 1-(3-chloro-2-methylpropoxy)-4-ethyl-2-methoxybenzene?
The InChIKey is OJCXQTQDWDGKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO2/c1-4-11-5-6-12(13(7-11)15-3)16-9-10(2)8-14/h5-7,10H,4,8-9H2,1-3H3.
What are the key properties of 1-(3-chloro-2-methylpropoxy)-4-ethyl-2-methoxybenzene?
1-(3-chloro-2-methylpropoxy)-4-ethyl-2-methoxybenzene has a molecular weight of 242.75 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylpropoxy)-4-ethyl-2-methoxybenzene is sourced from PubChem (CID 107664506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).