2-(9-bromononoxy)-6-methylnaphthalene

C20H27BrO — CID 118670324

IUPAC2-(9-bromononoxy)-6-methylnaphthalene
SMILESCc1ccc2cc(OCCCCCCCCCBr)ccc2c1
InChIInChI=1S/C20H27BrO/c1-17-9-10-19-16-20(12-11-18(19)15-17)22-14-8-6-4-2-3-5-7-13-21/h9-12,15-16H,2-8,13-14H2,1H3
InChIKeyRCVQVXFEGXJWLC-UHFFFAOYSA-N
MW363.34 g/mol
LogP6.65
Rot. Bonds10

About 2-(9-bromononoxy)-6-methylnaphthalene

2-(9-bromononoxy)-6-methylnaphthalene (PubChem CID 118670324) has the molecular formula C20H27BrO and a molecular weight of 363.34 g/mol. Its IUPAC name is 2-(9-bromononoxy)-6-methylnaphthalene.

Molecular Properties

Compound Name2-(9-bromononoxy)-6-methylnaphthalene
PubChem CID118670324
Molecular FormulaC20H27BrO
Molecular Weight363.34 g/mol
Exact Mass362.12
IUPAC Name2-(9-bromononoxy)-6-methylnaphthalene
SMILESCc1ccc2cc(OCCCCCCCCCBr)ccc2c1
InChIInChI=1S/C20H27BrO/c1-17-9-10-19-16-20(12-11-18(19)15-17)22-14-8-6-4-2-3-5-7-13-21/h9-12,15-16H,2-8,13-14H2,1H3
InChIKeyRCVQVXFEGXJWLC-UHFFFAOYSA-N
XLogP6.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.34
LogP ≤ 56.65
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'}

Analyze 2-(9-bromononoxy)-6-methylnaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(11-bromoundecoxy)-4-methylbenzene
CID 67541191
1-(9-bromononoxy)-4-methylbenzene
CID 105343245
2-(9-bromononoxy)naphthalene
CID 105343234
2-butoxy-6-methylnaphthalene
CID 58718847
2-bromo-6-(4-bromobutoxy)naphthalene
CID 43165163
1-(20-bromoicosoxy)-4-methoxybenzene
CID 15444591
6-(8-bromooctoxy)-2-methoxyquinoline
CID 66960886
1,3-bis(10-bromodecoxy)benzene
CID 11800753
1,2-dibromo-4-(6-bromohexoxy)benzene
CID 141347464
7-hexoxy-17-methyl-12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 140901513
7-decoxy-17-methyl-12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 140901505
8-[6-(4-methylphenyl)naphthalen-2-yl]oxyoctan-1-ol
CID 142809566

Frequently Asked Questions

What is the IUPAC name of 2-(9-bromononoxy)-6-methylnaphthalene?
The IUPAC name of 2-(9-bromononoxy)-6-methylnaphthalene (CID 118670324) is 2-(9-bromononoxy)-6-methylnaphthalene.
What is the SMILES notation for 2-(9-bromononoxy)-6-methylnaphthalene?
The canonical SMILES for 2-(9-bromononoxy)-6-methylnaphthalene is Cc1ccc2cc(OCCCCCCCCCBr)ccc2c1.
What is the InChIKey of 2-(9-bromononoxy)-6-methylnaphthalene?
The InChIKey is RCVQVXFEGXJWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27BrO/c1-17-9-10-19-16-20(12-11-18(19)15-17)22-14-8-6-4-2-3-5-7-13-21/h9-12,15-16H,2-8,13-14H2,1H3.
What are the key properties of 2-(9-bromononoxy)-6-methylnaphthalene?
2-(9-bromononoxy)-6-methylnaphthalene has a molecular weight of 363.34 g/mol, XLogP of 6.65, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-bromononoxy)-6-methylnaphthalene is sourced from PubChem (CID 118670324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).