(1R,2R)-2-ethenyl-1-(iodomethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalene

C14H17IO — CID 53473547

IUPAC(1R,2R)-2-ethenyl-1-(iodomethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalene
SMILESC=C[C@H]1CCc2cc(OC)ccc2[C@@H]1CI
InChIInChI=1S/C14H17IO/c1-3-10-4-5-11-8-12(16-2)6-7-13(11)14(10)9-15/h3,6-8,10,14H,1,4-5,9H2,2H3/t10-,14+/m0/s1
InChIKeyGLDRAHMNQSQCIQ-IINYFYTJSA-N
MW328.19 g/mol
LogP3.96
Rot. Bonds3

About (1R,2R)-2-ethenyl-1-(iodomethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalene

(1R,2R)-2-ethenyl-1-(iodomethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalene (PubChem CID 53473547) has the molecular formula C14H17IO and a molecular weight of 328.19 g/mol. Its IUPAC name is (1R,2R)-2-ethenyl-1-(iodomethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name(1R,2R)-2-ethenyl-1-(iodomethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalene
PubChem CID53473547
Molecular FormulaC14H17IO
Molecular Weight328.19 g/mol
Exact Mass328.03
IUPAC Name(1R,2R)-2-ethenyl-1-(iodomethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalene
SMILESC=C[C@H]1CCc2cc(OC)ccc2[C@@H]1CI
InChIInChI=1S/C14H17IO/c1-3-10-4-5-11-8-12(16-2)6-7-13(11)14(10)9-15/h3,6-8,10,14H,1,4-5,9H2,2H3/t10-,14+/m0/s1
InChIKeyGLDRAHMNQSQCIQ-IINYFYTJSA-N
XLogP3.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.19
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R,2R)-1-(3-chlorobut-3-enyl)-2-ethenyl-6-methoxy-1,2,3,4-tetrahydronaphthalene
CID 102589450
(1R,2S)-2-ethenyl-6-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene
CID 45103435
(1S,2S)-2-ethenyl-6-methoxy-1-(4-phenylbut-3-ynyl)-1,2,3,4-tetrahydronaphthalene
CID 45103634
(1S,2R)-1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10611903
2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-prop-2-enylamino]acetic acid
CID 79286200
2-[6-methoxy-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetaldehyde
CID 19830754
(1S)-5-methoxy-2,3-dihydro-1H-indene-1-carbonitrile
CID 86319053
2-bromo-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 13275748
7-methoxy-N-(2-prop-2-enylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 103901402
7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene;hydrochloride
CID 19889857
3-(6,13-dimethoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-2-methylpropan-1-ol
CID 83985293
(3aS,9bS)-7-methoxy-2-methyl-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole
CID 141001034

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-ethenyl-1-(iodomethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of (1R,2R)-2-ethenyl-1-(iodomethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalene (CID 53473547) is (1R,2R)-2-ethenyl-1-(iodomethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for (1R,2R)-2-ethenyl-1-(iodomethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for (1R,2R)-2-ethenyl-1-(iodomethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalene is C=C[C@H]1CCc2cc(OC)ccc2[C@@H]1CI.
What is the InChIKey of (1R,2R)-2-ethenyl-1-(iodomethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalene?
The InChIKey is GLDRAHMNQSQCIQ-IINYFYTJSA-N. The full InChI is InChI=1S/C14H17IO/c1-3-10-4-5-11-8-12(16-2)6-7-13(11)14(10)9-15/h3,6-8,10,14H,1,4-5,9H2,2H3/t10-,14+/m0/s1.
What are the key properties of (1R,2R)-2-ethenyl-1-(iodomethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalene?
(1R,2R)-2-ethenyl-1-(iodomethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalene has a molecular weight of 328.19 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-ethenyl-1-(iodomethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 53473547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).