7-(2-methylpentoxy)-1,2,3,4-tetrahydronaphthalen-1-ol

C16H24O2 — CID 114091344

IUPAC7-(2-methylpentoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCCCC(C)COc1ccc2c(c1)C(O)CCC2
InChIInChI=1S/C16H24O2/c1-3-5-12(2)11-18-14-9-8-13-6-4-7-16(17)15(13)10-14/h8-10,12,16-17H,3-7,11H2,1-2H3
InChIKeySHYDQTDCMCPZLE-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.87
Rot. Bonds5

About 7-(2-methylpentoxy)-1,2,3,4-tetrahydronaphthalen-1-ol

7-(2-methylpentoxy)-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 114091344) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 7-(2-methylpentoxy)-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name7-(2-methylpentoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID114091344
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name7-(2-methylpentoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCCCC(C)COc1ccc2c(c1)C(O)CCC2
InChIInChI=1S/C16H24O2/c1-3-5-12(2)11-18-14-9-8-13-6-4-7-16(17)15(13)10-14/h8-10,12,16-17H,3-7,11H2,1-2H3
InChIKeySHYDQTDCMCPZLE-UHFFFAOYSA-N
XLogP3.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-(2-methylpentoxy)-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

Related Compounds

3-[(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]propane-1,2-diol
CID 114091354
7-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 62738038
3-propan-2-yloxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 62738037
(1S)-7-(cyclopropylmethoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 114091372
7-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 166633236
(1S)-7-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79014448
1-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentan-2-ol
CID 62042802
(1S)-7-butyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79014495
1-(2,3-dihydro-1H-inden-5-yloxy)pentan-2-ol
CID 62041508
5-(2-methylpentoxy)-2,3-dihydroinden-1-one
CID 107684058
(1R)-7-(2-ethylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 114091177
6-(2-hydroxy-2,3-dimethylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 114494443

Frequently Asked Questions

What is the IUPAC name of 7-(2-methylpentoxy)-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 7-(2-methylpentoxy)-1,2,3,4-tetrahydronaphthalen-1-ol (CID 114091344) is 7-(2-methylpentoxy)-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 7-(2-methylpentoxy)-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 7-(2-methylpentoxy)-1,2,3,4-tetrahydronaphthalen-1-ol is CCCC(C)COc1ccc2c(c1)C(O)CCC2.
What is the InChIKey of 7-(2-methylpentoxy)-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is SHYDQTDCMCPZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-3-5-12(2)11-18-14-9-8-13-6-4-7-16(17)15(13)10-14/h8-10,12,16-17H,3-7,11H2,1-2H3.
What are the key properties of 7-(2-methylpentoxy)-1,2,3,4-tetrahydronaphthalen-1-ol?
7-(2-methylpentoxy)-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 248.37 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylpentoxy)-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 114091344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).