5-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol

C17H18O2 — CID 169410311

IUPAC5-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCOc1cccc(-c2cccc3c2CCCC3O)c1
InChIInChI=1S/C17H18O2/c1-19-13-6-2-5-12(11-13)14-7-3-9-16-15(14)8-4-10-17(16)18/h2-3,5-7,9,11,17-18H,4,8,10H2,1H3
InChIKeyLXXVVBFFWXKKQG-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.73
Rot. Bonds2

About 5-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol

5-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 169410311) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID169410311
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name5-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCOc1cccc(-c2cccc3c2CCCC3O)c1
InChIInChI=1S/C17H18O2/c1-19-13-6-2-5-12(11-13)14-7-3-9-16-15(14)8-4-10-17(16)18/h2-3,5-7,9,11,17-18H,4,8,10H2,1H3
InChIKeyLXXVVBFFWXKKQG-UHFFFAOYSA-N
XLogP3.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 5-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol (CID 169410311) is 5-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 5-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 5-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol is COc1cccc(-c2cccc3c2CCCC3O)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is LXXVVBFFWXKKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-19-13-6-2-5-12(11-13)14-7-3-9-16-15(14)8-4-10-17(16)18/h2-3,5-7,9,11,17-18H,4,8,10H2,1H3.
What are the key properties of 5-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
5-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 254.33 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 169410311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).