(1R)-1-(3-bromopropyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene

C14H19BrO — CID 129362608

IUPAC(1R)-1-(3-bromopropyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene
SMILESCOc1ccc2c(c1)[C@@H](CCCBr)CCC2
InChIInChI=1S/C14H19BrO/c1-16-13-8-7-12-5-2-4-11(6-3-9-15)14(12)10-13/h7-8,10-11H,2-6,9H2,1H3/t11-/m1/s1
InChIKeyZUVQHJIPORIURZ-LLVKDONJSA-N
MW283.21 g/mol
LogP4.29
Rot. Bonds4

About (1R)-1-(3-bromopropyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene

(1R)-1-(3-bromopropyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene (PubChem CID 129362608) has the molecular formula C14H19BrO and a molecular weight of 283.21 g/mol. Its IUPAC name is (1R)-1-(3-bromopropyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name(1R)-1-(3-bromopropyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene
PubChem CID129362608
Molecular FormulaC14H19BrO
Molecular Weight283.21 g/mol
Exact Mass282.06
IUPAC Name(1R)-1-(3-bromopropyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene
SMILESCOc1ccc2c(c1)[C@@H](CCCBr)CCC2
InChIInChI=1S/C14H19BrO/c1-16-13-8-7-12-5-2-4-11(6-3-9-15)14(12)10-13/h7-8,10-11H,2-6,9H2,1H3/t11-/m1/s1
InChIKeyZUVQHJIPORIURZ-LLVKDONJSA-N
XLogP4.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 54.29
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

(1R)-1-(3-bromopropyl)-6-methoxy-1,2,3,4-tetrahydronaphthalene
CID 129410305
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 15720552
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethylazanium chloride
CID 175673500
2-[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethanamine
CID 10900371
N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-2-amine
CID 79248252
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 82079561
(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 71756873
4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylsulfanyl]pyridine
CID 57180108
N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine;hydrochloride
CID 67867574
(6-methoxy-1,2,3,4-tetrahydroanthracen-1-yl)methanamine
CID 18466222
1-[3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4,4-dimethylpiperidine;hydrochloride
CID 11559395
1-[4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-4,4-dimethylpiperidine
CID 11603049

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromopropyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of (1R)-1-(3-bromopropyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene (CID 129362608) is (1R)-1-(3-bromopropyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for (1R)-1-(3-bromopropyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for (1R)-1-(3-bromopropyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene is COc1ccc2c(c1)[C@@H](CCCBr)CCC2.
What is the InChIKey of (1R)-1-(3-bromopropyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene?
The InChIKey is ZUVQHJIPORIURZ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19BrO/c1-16-13-8-7-12-5-2-4-11(6-3-9-15)14(12)10-13/h7-8,10-11H,2-6,9H2,1H3/t11-/m1/s1.
What are the key properties of (1R)-1-(3-bromopropyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene?
(1R)-1-(3-bromopropyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene has a molecular weight of 283.21 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-bromopropyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 129362608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).