1-(3-bromopropyl)-6-methoxynaphthalene

C14H15BrO — CID 11514645

IUPAC1-(3-bromopropyl)-6-methoxynaphthalene
SMILESCOc1ccc2c(CCCBr)cccc2c1
InChIInChI=1S/C14H15BrO/c1-16-13-7-8-14-11(6-3-9-15)4-2-5-12(14)10-13/h2,4-5,7-8,10H,3,6,9H2,1H3
InChIKeyDZEUMQOGSIFRNB-UHFFFAOYSA-N
MW279.18 g/mol
LogP4.18
Rot. Bonds4

About 1-(3-bromopropyl)-6-methoxynaphthalene

1-(3-bromopropyl)-6-methoxynaphthalene (PubChem CID 11514645) has the molecular formula C14H15BrO and a molecular weight of 279.18 g/mol. Its IUPAC name is 1-(3-bromopropyl)-6-methoxynaphthalene.

Molecular Properties

Compound Name1-(3-bromopropyl)-6-methoxynaphthalene
PubChem CID11514645
Molecular FormulaC14H15BrO
Molecular Weight279.18 g/mol
Exact Mass278.03
IUPAC Name1-(3-bromopropyl)-6-methoxynaphthalene
SMILESCOc1ccc2c(CCCBr)cccc2c1
InChIInChI=1S/C14H15BrO/c1-16-13-7-8-14-11(6-3-9-15)4-2-5-12(14)10-13/h2,4-5,7-8,10H,3,6,9H2,1H3
InChIKeyDZEUMQOGSIFRNB-UHFFFAOYSA-N
XLogP4.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 54.18
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

(6-methoxynaphthalen-1-yl)methanethiol
CID 45117105
2-(6-methoxynaphthalen-1-yl)acetic acid
CID 10398394
1-[4-(6-methoxynaphthalen-1-yl)butyl]-4,4-dimethylpiperidine
CID 11493574
1-(2-bromoethyl)-3-methoxynaphthalene
CID 174397212
1-[4-(6-methoxynaphthalen-1-yl)butyl]-4-methylpiperidine;hydrochloride
CID 11674649
3-(18F)fluoro-1-[3-(6-methoxynaphthalen-1-yl)propyl]-3-methylpiperidine
CID 135033356
1-[3-(6-methoxynaphthalen-1-yl)propyl]-3,3-dimethylpiperidine
CID 11573193
1-(3-bromopropyl)-3-fluoro-2-methoxybenzene
CID 118853515
2-(3-bromopropyl)-1-chloro-4-methoxybenzene
CID 22923967
1-(3-bromopropyl)-2-chloro-4-methoxybenzene
CID 83942409
1-[4-(6-methoxynaphthalen-1-yl)butyl]-2,2-dimethylpiperidine;hydrochloride
CID 11617475
5-bromo-N-[2-(7-methoxynaphthalen-1-yl)ethyl]pentanamide
CID 19021866

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromopropyl)-6-methoxynaphthalene?
The IUPAC name of 1-(3-bromopropyl)-6-methoxynaphthalene (CID 11514645) is 1-(3-bromopropyl)-6-methoxynaphthalene.
What is the SMILES notation for 1-(3-bromopropyl)-6-methoxynaphthalene?
The canonical SMILES for 1-(3-bromopropyl)-6-methoxynaphthalene is COc1ccc2c(CCCBr)cccc2c1.
What is the InChIKey of 1-(3-bromopropyl)-6-methoxynaphthalene?
The InChIKey is DZEUMQOGSIFRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrO/c1-16-13-7-8-14-11(6-3-9-15)4-2-5-12(14)10-13/h2,4-5,7-8,10H,3,6,9H2,1H3.
What are the key properties of 1-(3-bromopropyl)-6-methoxynaphthalene?
1-(3-bromopropyl)-6-methoxynaphthalene has a molecular weight of 279.18 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromopropyl)-6-methoxynaphthalene is sourced from PubChem (CID 11514645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).