1-(2-bromoethoxy)-4-(7-methylnonan-4-yl)benzene

C18H29BrO — CID 170062648

IUPAC1-(2-bromoethoxy)-4-(7-methylnonan-4-yl)benzene
SMILESCCCC(CCC(C)CC)c1ccc(OCCBr)cc1
InChIInChI=1S/C18H29BrO/c1-4-6-16(8-7-15(3)5-2)17-9-11-18(12-10-17)20-14-13-19/h9-12,15-16H,4-8,13-14H2,1-3H3
InChIKeyAVWFAQNATNDGCD-UHFFFAOYSA-N
MW341.33 g/mol
LogP6.17
Rot. Bonds10

About 1-(2-bromoethoxy)-4-(7-methylnonan-4-yl)benzene

1-(2-bromoethoxy)-4-(7-methylnonan-4-yl)benzene (PubChem CID 170062648) has the molecular formula C18H29BrO and a molecular weight of 341.33 g/mol. Its IUPAC name is 1-(2-bromoethoxy)-4-(7-methylnonan-4-yl)benzene.

Molecular Properties

Compound Name1-(2-bromoethoxy)-4-(7-methylnonan-4-yl)benzene
PubChem CID170062648
Molecular FormulaC18H29BrO
Molecular Weight341.33 g/mol
Exact Mass340.14
IUPAC Name1-(2-bromoethoxy)-4-(7-methylnonan-4-yl)benzene
SMILESCCCC(CCC(C)CC)c1ccc(OCCBr)cc1
InChIInChI=1S/C18H29BrO/c1-4-6-16(8-7-15(3)5-2)17-9-11-18(12-10-17)20-14-13-19/h9-12,15-16H,4-8,13-14H2,1-3H3
InChIKeyAVWFAQNATNDGCD-UHFFFAOYSA-N
XLogP6.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.33
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(6-methyloctan-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 101082201
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(6-methyloctan-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 101226367
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(6-methyloctan-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 101226371
2-[2-[2-[2-[2-[2-[2-[2-[4-(6-methyloctan-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 101226365
1-[4-(7-methylnonan-4-yl)phenyl]ethanone
CID 143452175
1-bromo-4-[(4S)-4-methylhexoxy]benzene
CID 14692508
4-(4-hexoxyphenyl)heptan-1-amine
CID 83932661
1-(2-bromoethoxy)-4-pentan-3-yloxybenzene
CID 15239123
1-pentan-3-yl-4-(4-propoxyphenyl)benzene
CID 126760661
1-(2-bromoethoxymethoxy)-4-butan-2-ylbenzene
CID 58559906
2-(4-ethoxyphenyl)pentan-1-amine
CID 112507782
1-decoxy-4-[4-(6-methyloctoxy)phenyl]benzene
CID 67920503

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethoxy)-4-(7-methylnonan-4-yl)benzene?
The IUPAC name of 1-(2-bromoethoxy)-4-(7-methylnonan-4-yl)benzene (CID 170062648) is 1-(2-bromoethoxy)-4-(7-methylnonan-4-yl)benzene.
What is the SMILES notation for 1-(2-bromoethoxy)-4-(7-methylnonan-4-yl)benzene?
The canonical SMILES for 1-(2-bromoethoxy)-4-(7-methylnonan-4-yl)benzene is CCCC(CCC(C)CC)c1ccc(OCCBr)cc1.
What is the InChIKey of 1-(2-bromoethoxy)-4-(7-methylnonan-4-yl)benzene?
The InChIKey is AVWFAQNATNDGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29BrO/c1-4-6-16(8-7-15(3)5-2)17-9-11-18(12-10-17)20-14-13-19/h9-12,15-16H,4-8,13-14H2,1-3H3.
What are the key properties of 1-(2-bromoethoxy)-4-(7-methylnonan-4-yl)benzene?
1-(2-bromoethoxy)-4-(7-methylnonan-4-yl)benzene has a molecular weight of 341.33 g/mol, XLogP of 6.17, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethoxy)-4-(7-methylnonan-4-yl)benzene is sourced from PubChem (CID 170062648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).