2-(9-bromononoxy)naphthalene

C19H25BrO — CID 105343234

IUPAC2-(9-bromononoxy)naphthalene
SMILESBrCCCCCCCCCOc1ccc2ccccc2c1
InChIInChI=1S/C19H25BrO/c20-14-8-4-2-1-3-5-9-15-21-19-13-12-17-10-6-7-11-18(17)16-19/h6-7,10-13,16H,1-5,8-9,14-15H2
InChIKeyHZWALNPLQNTPLS-UHFFFAOYSA-N
MW349.31 g/mol
LogP6.34
Rot. Bonds10

About 2-(9-bromononoxy)naphthalene

2-(9-bromononoxy)naphthalene (PubChem CID 105343234) has the molecular formula C19H25BrO and a molecular weight of 349.31 g/mol. Its IUPAC name is 2-(9-bromononoxy)naphthalene.

Molecular Properties

Compound Name2-(9-bromononoxy)naphthalene
PubChem CID105343234
Molecular FormulaC19H25BrO
Molecular Weight349.31 g/mol
Exact Mass348.11
IUPAC Name2-(9-bromononoxy)naphthalene
SMILESBrCCCCCCCCCOc1ccc2ccccc2c1
InChIInChI=1S/C19H25BrO/c20-14-8-4-2-1-3-5-9-15-21-19-13-12-17-10-6-7-11-18(17)16-19/h6-7,10-13,16H,1-5,8-9,14-15H2
InChIKeyHZWALNPLQNTPLS-UHFFFAOYSA-N
XLogP6.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.31
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

2-(9-bromononoxy)-6-methylnaphthalene
CID 118670324
2-bromo-6-(4-bromobutoxy)naphthalene
CID 43165163
11-naphthalen-2-yloxyundecan-1-ol
CID 164916130
1,3-bis(10-bromodecoxy)benzene
CID 11800753
2-(7,7,7-trifluoroheptoxy)naphthalene
CID 134838643
10-anthracen-2-yloxydecane-1-thiol
CID 10808920
N,N-diethyl-4-naphthalen-2-yloxybutan-1-amine
CID 5333118
7-naphthalen-2-yloxyheptanoic acid
CID 39371628
1,2-dibromo-4-(6-bromohexoxy)benzene
CID 141347464
N,N-dimethyl-4-naphthalen-2-yloxybutan-1-amine
CID 59083731
methyl(4-naphthalen-2-yloxybutyl)azanium
CID 7454605
1-(20-bromoicosoxy)-4-methoxybenzene
CID 15444591

Frequently Asked Questions

What is the IUPAC name of 2-(9-bromononoxy)naphthalene?
The IUPAC name of 2-(9-bromononoxy)naphthalene (CID 105343234) is 2-(9-bromononoxy)naphthalene.
What is the SMILES notation for 2-(9-bromononoxy)naphthalene?
The canonical SMILES for 2-(9-bromononoxy)naphthalene is BrCCCCCCCCCOc1ccc2ccccc2c1.
What is the InChIKey of 2-(9-bromononoxy)naphthalene?
The InChIKey is HZWALNPLQNTPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BrO/c20-14-8-4-2-1-3-5-9-15-21-19-13-12-17-10-6-7-11-18(17)16-19/h6-7,10-13,16H,1-5,8-9,14-15H2.
What are the key properties of 2-(9-bromononoxy)naphthalene?
2-(9-bromononoxy)naphthalene has a molecular weight of 349.31 g/mol, XLogP of 6.34, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-bromononoxy)naphthalene is sourced from PubChem (CID 105343234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).