1-(5-chloro-3-methylpentoxy)-4-ethyl-2-methoxybenzene

C15H23ClO2 — CID 107664504

IUPAC1-(5-chloro-3-methylpentoxy)-4-ethyl-2-methoxybenzene
SMILESCCc1ccc(OCCC(C)CCCl)c(OC)c1
InChIInChI=1S/C15H23ClO2/c1-4-13-5-6-14(15(11-13)17-3)18-10-8-12(2)7-9-16/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeyPGMBKBCOPUDBAV-UHFFFAOYSA-N
MW270.80 g/mol
LogP4.29
Rot. Bonds8

About 1-(5-chloro-3-methylpentoxy)-4-ethyl-2-methoxybenzene

1-(5-chloro-3-methylpentoxy)-4-ethyl-2-methoxybenzene (PubChem CID 107664504) has the molecular formula C15H23ClO2 and a molecular weight of 270.80 g/mol. Its IUPAC name is 1-(5-chloro-3-methylpentoxy)-4-ethyl-2-methoxybenzene.

Molecular Properties

Compound Name1-(5-chloro-3-methylpentoxy)-4-ethyl-2-methoxybenzene
PubChem CID107664504
Molecular FormulaC15H23ClO2
Molecular Weight270.80 g/mol
Exact Mass270.14
IUPAC Name1-(5-chloro-3-methylpentoxy)-4-ethyl-2-methoxybenzene
SMILESCCc1ccc(OCCC(C)CCCl)c(OC)c1
InChIInChI=1S/C15H23ClO2/c1-4-13-5-6-14(15(11-13)17-3)18-10-8-12(2)7-9-16/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeyPGMBKBCOPUDBAV-UHFFFAOYSA-N
XLogP4.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 54.29
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-chloro-2-methylpropoxy)-4-ethyl-2-methoxybenzene
CID 107664506
2-(4-ethyl-2-methoxyphenoxy)ethanol
CID 67567470
1-[4-(3-chloropropoxy)-3-methoxyphenyl]propan-2-amine
CID 170864443
methyl 4-(4-ethyl-2-methoxyphenoxy)-2-(methylamino)butanoate
CID 107668050
[3-methoxy-4-(3-methylbutoxy)phenyl]methanethiol
CID 123919756
6-(4-ethyl-2-methoxyphenoxy)hexane-1-thiol
CID 107669500
9-(4-ethyl-2-methoxyphenoxy)nonane-1-thiol
CID 107669491
3-(5-chloro-3-methylpentoxy)-2-ethyl-6-methylpyridine
CID 103174565
4-(4-ethyl-2-methoxyphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 107668456
3-[4-(3-chloropropoxy)-3-methoxyphenyl]propan-1-amine
CID 170867447
ethane;4-ethyl-1-methoxy-2-propan-2-ylbenzene
CID 142904344
3-(4-ethyl-2-methoxyphenoxy)propanethioamide
CID 107664967

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-3-methylpentoxy)-4-ethyl-2-methoxybenzene?
The IUPAC name of 1-(5-chloro-3-methylpentoxy)-4-ethyl-2-methoxybenzene (CID 107664504) is 1-(5-chloro-3-methylpentoxy)-4-ethyl-2-methoxybenzene.
What is the SMILES notation for 1-(5-chloro-3-methylpentoxy)-4-ethyl-2-methoxybenzene?
The canonical SMILES for 1-(5-chloro-3-methylpentoxy)-4-ethyl-2-methoxybenzene is CCc1ccc(OCCC(C)CCCl)c(OC)c1.
What is the InChIKey of 1-(5-chloro-3-methylpentoxy)-4-ethyl-2-methoxybenzene?
The InChIKey is PGMBKBCOPUDBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClO2/c1-4-13-5-6-14(15(11-13)17-3)18-10-8-12(2)7-9-16/h5-6,11-12H,4,7-10H2,1-3H3.
What are the key properties of 1-(5-chloro-3-methylpentoxy)-4-ethyl-2-methoxybenzene?
1-(5-chloro-3-methylpentoxy)-4-ethyl-2-methoxybenzene has a molecular weight of 270.80 g/mol, XLogP of 4.29, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3-methylpentoxy)-4-ethyl-2-methoxybenzene is sourced from PubChem (CID 107664504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).