1-(9-bromononoxymethyl)-3-methoxybenzene

C17H27BrO2 — CID 105343271

IUPAC1-(9-bromononoxymethyl)-3-methoxybenzene
SMILESCOc1cccc(COCCCCCCCCCBr)c1
InChIInChI=1S/C17H27BrO2/c1-19-17-11-9-10-16(14-17)15-20-13-8-6-4-2-3-5-7-12-18/h9-11,14H,2-8,12-13,15H2,1H3
InChIKeyKZSPCSFHGGODIP-UHFFFAOYSA-N
MW343.30 g/mol
LogP5.34
Rot. Bonds12

About 1-(9-bromononoxymethyl)-3-methoxybenzene

1-(9-bromononoxymethyl)-3-methoxybenzene (PubChem CID 105343271) has the molecular formula C17H27BrO2 and a molecular weight of 343.30 g/mol. Its IUPAC name is 1-(9-bromononoxymethyl)-3-methoxybenzene.

Molecular Properties

Compound Name1-(9-bromononoxymethyl)-3-methoxybenzene
PubChem CID105343271
Molecular FormulaC17H27BrO2
Molecular Weight343.30 g/mol
Exact Mass342.12
IUPAC Name1-(9-bromononoxymethyl)-3-methoxybenzene
SMILESCOc1cccc(COCCCCCCCCCBr)c1
InChIInChI=1S/C17H27BrO2/c1-19-17-11-9-10-16(14-17)15-20-13-8-6-4-2-3-5-7-12-18/h9-11,14H,2-8,12-13,15H2,1H3
InChIKeyKZSPCSFHGGODIP-UHFFFAOYSA-N
XLogP5.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.30
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-3-(5-bromopentoxymethyl)benzene
CID 82828091
5-bromopentoxymethylbenzene;1,5-dibromopentane
CID 161240377
15-bromopentadecoxymethylbenzene
CID 11338468
2-[(3-methoxyphenyl)methoxy]ethanamine;hydrochloride
CID 71757143
6-[(3-methoxyphenyl)methoxy]hexan-3-one
CID 106801987
N'-hydroxy-5-[(3-methoxyphenyl)methoxy]pentanimidamide
CID 109374643
5-[(3-methoxyphenyl)methoxy]pentanimidamide
CID 54966332
1-methoxy-4-(7-phenylmethoxyheptoxymethyl)benzene
CID 101026265
N-[2-[(3-methoxyphenyl)methoxy]ethyl]-N-methylpropan-2-amine
CID 58202110
1-(4-bromobutoxy)-3-ethylbenzene
CID 43165198
3-bromo-N-[(3-methoxyphenyl)methyl]propan-1-amine
CID 114293504
1-(6-bromohexoxymethyl)-3,5-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzene
CID 54771674

Frequently Asked Questions

What is the IUPAC name of 1-(9-bromononoxymethyl)-3-methoxybenzene?
The IUPAC name of 1-(9-bromononoxymethyl)-3-methoxybenzene (CID 105343271) is 1-(9-bromononoxymethyl)-3-methoxybenzene.
What is the SMILES notation for 1-(9-bromononoxymethyl)-3-methoxybenzene?
The canonical SMILES for 1-(9-bromononoxymethyl)-3-methoxybenzene is COc1cccc(COCCCCCCCCCBr)c1.
What is the InChIKey of 1-(9-bromononoxymethyl)-3-methoxybenzene?
The InChIKey is KZSPCSFHGGODIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrO2/c1-19-17-11-9-10-16(14-17)15-20-13-8-6-4-2-3-5-7-12-18/h9-11,14H,2-8,12-13,15H2,1H3.
What are the key properties of 1-(9-bromononoxymethyl)-3-methoxybenzene?
1-(9-bromononoxymethyl)-3-methoxybenzene has a molecular weight of 343.30 g/mol, XLogP of 5.34, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-bromononoxymethyl)-3-methoxybenzene is sourced from PubChem (CID 105343271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).