1-benzyl-5-methoxy-1,2,3,4-tetrahydronaphthalene

C18H20O — CID 72942489

IUPAC1-benzyl-5-methoxy-1,2,3,4-tetrahydronaphthalene
SMILESCOc1cccc2c1CCCC2Cc1ccccc1
InChIInChI=1S/C18H20O/c1-19-18-12-6-10-16-15(9-5-11-17(16)18)13-14-7-3-2-4-8-14/h2-4,6-8,10,12,15H,5,9,11,13H2,1H3
InChIKeyRVBGYFWIJNVHQZ-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.36
Rot. Bonds3

About 1-benzyl-5-methoxy-1,2,3,4-tetrahydronaphthalene

1-benzyl-5-methoxy-1,2,3,4-tetrahydronaphthalene (PubChem CID 72942489) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-benzyl-5-methoxy-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-benzyl-5-methoxy-1,2,3,4-tetrahydronaphthalene
PubChem CID72942489
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name1-benzyl-5-methoxy-1,2,3,4-tetrahydronaphthalene
SMILESCOc1cccc2c1CCCC2Cc1ccccc1
InChIInChI=1S/C18H20O/c1-19-18-12-6-10-16-15(9-5-11-17(16)18)13-14-7-3-2-4-8-14/h2-4,6-8,10,12,15H,5,9,11,13H2,1H3
InChIKeyRVBGYFWIJNVHQZ-UHFFFAOYSA-N
XLogP4.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methanol
CID 10535755
1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydrochrysene
CID 174864726
1-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylmethanamine
CID 10774628
1-(azidomethyl)-5-methoxy-1,2,3,4-tetrahydronaphthalene
CID 14437044
5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 70349932
1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine
CID 10684798
4-cyclohexyl-1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperidine
CID 44598136
7-benzyl-7,8,9,10-tetrahydrochrysen-1-ol
CID 174480338
1-[4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazin-1-yl]ethanone
CID 10830296
1-cyclohexyl-4-[3-[(1S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]piperazine
CID 11428679
N-(4-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 19876157
(1S)-1-benzyl-2,3-dihydro-1H-indene
CID 134957742

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-methoxy-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-benzyl-5-methoxy-1,2,3,4-tetrahydronaphthalene (CID 72942489) is 1-benzyl-5-methoxy-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-benzyl-5-methoxy-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-benzyl-5-methoxy-1,2,3,4-tetrahydronaphthalene is COc1cccc2c1CCCC2Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-methoxy-1,2,3,4-tetrahydronaphthalene?
The InChIKey is RVBGYFWIJNVHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c1-19-18-12-6-10-16-15(9-5-11-17(16)18)13-14-7-3-2-4-8-14/h2-4,6-8,10,12,15H,5,9,11,13H2,1H3.
What are the key properties of 1-benzyl-5-methoxy-1,2,3,4-tetrahydronaphthalene?
1-benzyl-5-methoxy-1,2,3,4-tetrahydronaphthalene has a molecular weight of 252.36 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-methoxy-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 72942489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).