[6-(5-methoxy-2-propylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl] 2,2-dimethylpropanoate

C25H32O3 — CID 58035883

IUPAC[6-(5-methoxy-2-propylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl] 2,2-dimethylpropanoate
SMILESCCCc1ccc(OC)cc1C1CCc2cc(OC(=O)C(C)(C)C)ccc2C1
InChIInChI=1S/C25H32O3/c1-6-7-17-10-12-21(27-5)16-23(17)20-9-8-19-15-22(13-11-18(19)14-20)28-24(26)25(2,3)4/h10-13,15-16,20H,6-9,14H2,1-5H3
InChIKeyJBGQMKHHPADGRC-UHFFFAOYSA-N
MW380.53 g/mol
LogP5.87
Rot. Bonds5

About [6-(5-methoxy-2-propylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl] 2,2-dimethylpropanoate

[6-(5-methoxy-2-propylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl] 2,2-dimethylpropanoate (PubChem CID 58035883) has the molecular formula C25H32O3 and a molecular weight of 380.53 g/mol. Its IUPAC name is [6-(5-methoxy-2-propylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[6-(5-methoxy-2-propylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl] 2,2-dimethylpropanoate
PubChem CID58035883
Molecular FormulaC25H32O3
Molecular Weight380.53 g/mol
Exact Mass380.24
IUPAC Name[6-(5-methoxy-2-propylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl] 2,2-dimethylpropanoate
SMILESCCCc1ccc(OC)cc1C1CCc2cc(OC(=O)C(C)(C)C)ccc2C1
InChIInChI=1S/C25H32O3/c1-6-7-17-10-12-21(27-5)16-23(17)20-9-8-19-15-22(13-11-18(19)14-20)28-24(26)25(2,3)4/h10-13,15-16,20H,6-9,14H2,1-5H3
InChIKeyJBGQMKHHPADGRC-UHFFFAOYSA-N
XLogP5.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.53
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[(6R)-6-(2-propylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl] 2,2-dimethylpropanoate
CID 58035887
6-methoxy-2-(4-methoxy-2-propylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 58035843
[(6R)-6-[2-[(2-ethoxy-2-oxoethyl)amino]-4-methoxy-5-methylphenyl]-5,6,7,8-tetrahydronaphthalen-2-yl] 2,2-dimethylpropanoate
CID 58023118
[6-[2-[ethyl-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-yl] 2,2-dimethylpropanoate
CID 66625867
[6-[2-[[2-(3-fluoro-4-hydroxyphenyl)-2-oxoethyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-yl] 2,2-dimethylpropanoate
CID 66626888
[6-[2-[ethyl-[4-[2-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propyl]benzoyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-yl] 2,2-dimethylpropanoate
CID 66627949
N-ethyl-5-methoxy-2-(1,2,3,4-tetrahydronaphthalen-2-yl)aniline
CID 177365057
ethyl 2-amino-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate
CID 67422105
N-[2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-5-methoxyphenyl]acetamide
CID 154681620
2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)aniline
CID 23087188
methyl (2R)-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 22882753
methyl 2-hydroxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate
CID 54467524

Frequently Asked Questions

What is the IUPAC name of [6-(5-methoxy-2-propylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl] 2,2-dimethylpropanoate?
The IUPAC name of [6-(5-methoxy-2-propylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl] 2,2-dimethylpropanoate (CID 58035883) is [6-(5-methoxy-2-propylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [6-(5-methoxy-2-propylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [6-(5-methoxy-2-propylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl] 2,2-dimethylpropanoate is CCCc1ccc(OC)cc1C1CCc2cc(OC(=O)C(C)(C)C)ccc2C1.
What is the InChIKey of [6-(5-methoxy-2-propylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl] 2,2-dimethylpropanoate?
The InChIKey is JBGQMKHHPADGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32O3/c1-6-7-17-10-12-21(27-5)16-23(17)20-9-8-19-15-22(13-11-18(19)14-20)28-24(26)25(2,3)4/h10-13,15-16,20H,6-9,14H2,1-5H3.
What are the key properties of [6-(5-methoxy-2-propylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl] 2,2-dimethylpropanoate?
[6-(5-methoxy-2-propylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl] 2,2-dimethylpropanoate has a molecular weight of 380.53 g/mol, XLogP of 5.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5-methoxy-2-propylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 58035883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).