1-[2-[1-(1-bromoethyl)cyclopropyl]ethoxy]-4-methoxybenzene

C14H19BrO2 — CID 106798736

IUPAC1-[2-[1-(1-bromoethyl)cyclopropyl]ethoxy]-4-methoxybenzene
SMILESCOc1ccc(OCCC2(C(C)Br)CC2)cc1
InChIInChI=1S/C14H19BrO2/c1-11(15)14(7-8-14)9-10-17-13-5-3-12(16-2)4-6-13/h3-6,11H,7-10H2,1-2H3
InChIKeyKVPCZXYUNIRPEE-UHFFFAOYSA-N
MW299.21 g/mol
LogP4.03
Rot. Bonds6

About 1-[2-[1-(1-bromoethyl)cyclopropyl]ethoxy]-4-methoxybenzene

1-[2-[1-(1-bromoethyl)cyclopropyl]ethoxy]-4-methoxybenzene (PubChem CID 106798736) has the molecular formula C14H19BrO2 and a molecular weight of 299.21 g/mol. Its IUPAC name is 1-[2-[1-(1-bromoethyl)cyclopropyl]ethoxy]-4-methoxybenzene.

Molecular Properties

Compound Name1-[2-[1-(1-bromoethyl)cyclopropyl]ethoxy]-4-methoxybenzene
PubChem CID106798736
Molecular FormulaC14H19BrO2
Molecular Weight299.21 g/mol
Exact Mass298.06
IUPAC Name1-[2-[1-(1-bromoethyl)cyclopropyl]ethoxy]-4-methoxybenzene
SMILESCOc1ccc(OCCC2(C(C)Br)CC2)cc1
InChIInChI=1S/C14H19BrO2/c1-11(15)14(7-8-14)9-10-17-13-5-3-12(16-2)4-6-13/h3-6,11H,7-10H2,1-2H3
InChIKeyKVPCZXYUNIRPEE-UHFFFAOYSA-N
XLogP4.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 54.03
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-methoxy-4-[2-(4-methylphenoxy)ethoxy]benzene
CID 2284217
2-bromo-N-[2-(4-methoxyphenoxy)ethyl]-N-methylpropan-1-amine
CID 80666794
(1R)-1-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]ethanamine
CID 79009249
1-(2-chloroethoxy)-4-methoxybenzene
CID 10081150
1-[1-bromo-4-(4-methoxyphenoxy)butan-2-yl]-4-methylbenzene
CID 79431541
1-(20-bromoicosoxy)-4-methoxybenzene
CID 15444591
1-[3,3-bis(bromomethyl)-4-methylpentoxy]-4-methoxybenzene
CID 79456113
[bis[2-(4-methoxyphenoxy)ethyl]amino]methanedithiol
CID 58131449
3-[2-(4-methoxyphenoxy)ethyl]-3-phenylazetidine
CID 79451136
1-methoxy-4-[2-[1-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 146697935
1-[1-(3-phenoxypropyl)cyclopropyl]ethanol
CID 106798155
ethane;1-methoxy-4-(4-methoxybutoxy)benzene
CID 143283261

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(1-bromoethyl)cyclopropyl]ethoxy]-4-methoxybenzene?
The IUPAC name of 1-[2-[1-(1-bromoethyl)cyclopropyl]ethoxy]-4-methoxybenzene (CID 106798736) is 1-[2-[1-(1-bromoethyl)cyclopropyl]ethoxy]-4-methoxybenzene.
What is the SMILES notation for 1-[2-[1-(1-bromoethyl)cyclopropyl]ethoxy]-4-methoxybenzene?
The canonical SMILES for 1-[2-[1-(1-bromoethyl)cyclopropyl]ethoxy]-4-methoxybenzene is COc1ccc(OCCC2(C(C)Br)CC2)cc1.
What is the InChIKey of 1-[2-[1-(1-bromoethyl)cyclopropyl]ethoxy]-4-methoxybenzene?
The InChIKey is KVPCZXYUNIRPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO2/c1-11(15)14(7-8-14)9-10-17-13-5-3-12(16-2)4-6-13/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 1-[2-[1-(1-bromoethyl)cyclopropyl]ethoxy]-4-methoxybenzene?
1-[2-[1-(1-bromoethyl)cyclopropyl]ethoxy]-4-methoxybenzene has a molecular weight of 299.21 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(1-bromoethyl)cyclopropyl]ethoxy]-4-methoxybenzene is sourced from PubChem (CID 106798736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).