2-[2-(bromomethyl)-3-methylbutoxy]naphthalene

C16H19BrO — CID 65012394

IUPAC2-[2-(bromomethyl)-3-methylbutoxy]naphthalene
SMILESCC(C)C(CBr)COc1ccc2ccccc2c1
InChIInChI=1S/C16H19BrO/c1-12(2)15(10-17)11-18-16-8-7-13-5-3-4-6-14(13)9-16/h3-9,12,15H,10-11H2,1-2H3
InChIKeyPFBGFNACFSXBLN-UHFFFAOYSA-N
MW307.23 g/mol
LogP4.89
Rot. Bonds5

About 2-[2-(bromomethyl)-3-methylbutoxy]naphthalene

2-[2-(bromomethyl)-3-methylbutoxy]naphthalene (PubChem CID 65012394) has the molecular formula C16H19BrO and a molecular weight of 307.23 g/mol. Its IUPAC name is 2-[2-(bromomethyl)-3-methylbutoxy]naphthalene.

Molecular Properties

Compound Name2-[2-(bromomethyl)-3-methylbutoxy]naphthalene
PubChem CID65012394
Molecular FormulaC16H19BrO
Molecular Weight307.23 g/mol
Exact Mass306.06
IUPAC Name2-[2-(bromomethyl)-3-methylbutoxy]naphthalene
SMILESCC(C)C(CBr)COc1ccc2ccccc2c1
InChIInChI=1S/C16H19BrO/c1-12(2)15(10-17)11-18-16-8-7-13-5-3-4-6-14(13)9-16/h3-9,12,15H,10-11H2,1-2H3
InChIKeyPFBGFNACFSXBLN-UHFFFAOYSA-N
XLogP4.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 54.89
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

1-[2-(bromomethyl)-3-methylbutoxy]-3-fluorobenzene
CID 65012281
1-naphthalen-2-yloxypropan-2-ol
CID 2793897
2-(2-methoxypropoxy)naphthalene
CID 155439775
N,N-dimethyl-1-naphthalen-2-yloxypropan-2-amine
CID 4189894
4-[2-(bromomethyl)-3-methylbutoxy]benzonitrile
CID 65012167
2-[2-(4-methoxyphenoxy)propoxy]naphthalene
CID 86155874
N,2-dimethyl-3-naphthalen-2-yloxypropan-1-amine
CID 62459950
2-[2-(bromomethyl)-3-methylbutyl]sulfanylnaphthalene
CID 65011948
1-[2-(bromomethyl)-3-methylbutoxy]-2-ethoxybenzene
CID 65011814
N-[3-[2-(bromomethyl)-3-methylbutoxy]phenyl]acetamide
CID 65011994
2-ethoxynaphthalene
CID 118978197
8-[2-(bromomethyl)-3-methylbutoxy]-2-methylquinoline
CID 65012115

Frequently Asked Questions

What is the IUPAC name of 2-[2-(bromomethyl)-3-methylbutoxy]naphthalene?
The IUPAC name of 2-[2-(bromomethyl)-3-methylbutoxy]naphthalene (CID 65012394) is 2-[2-(bromomethyl)-3-methylbutoxy]naphthalene.
What is the SMILES notation for 2-[2-(bromomethyl)-3-methylbutoxy]naphthalene?
The canonical SMILES for 2-[2-(bromomethyl)-3-methylbutoxy]naphthalene is CC(C)C(CBr)COc1ccc2ccccc2c1.
What is the InChIKey of 2-[2-(bromomethyl)-3-methylbutoxy]naphthalene?
The InChIKey is PFBGFNACFSXBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrO/c1-12(2)15(10-17)11-18-16-8-7-13-5-3-4-6-14(13)9-16/h3-9,12,15H,10-11H2,1-2H3.
What are the key properties of 2-[2-(bromomethyl)-3-methylbutoxy]naphthalene?
2-[2-(bromomethyl)-3-methylbutoxy]naphthalene has a molecular weight of 307.23 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(bromomethyl)-3-methylbutoxy]naphthalene is sourced from PubChem (CID 65012394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).