3-[(3-ethyl-5,6,7,8-tetrahydronaphthalen-1-yl)methoxy]propan-1-ol

C16H24O2 — CID 70847096

IUPAC3-[(3-ethyl-5,6,7,8-tetrahydronaphthalen-1-yl)methoxy]propan-1-ol
SMILESCCc1cc2c(c(COCCCO)c1)CCCC2
InChIInChI=1S/C16H24O2/c1-2-13-10-14-6-3-4-7-16(14)15(11-13)12-18-9-5-8-17/h10-11,17H,2-9,12H2,1H3
InChIKeyZBFJCYUOVAVGEK-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.03
Rot. Bonds6

About 3-[(3-ethyl-5,6,7,8-tetrahydronaphthalen-1-yl)methoxy]propan-1-ol

3-[(3-ethyl-5,6,7,8-tetrahydronaphthalen-1-yl)methoxy]propan-1-ol (PubChem CID 70847096) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-[(3-ethyl-5,6,7,8-tetrahydronaphthalen-1-yl)methoxy]propan-1-ol.

Molecular Properties

Compound Name3-[(3-ethyl-5,6,7,8-tetrahydronaphthalen-1-yl)methoxy]propan-1-ol
PubChem CID70847096
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name3-[(3-ethyl-5,6,7,8-tetrahydronaphthalen-1-yl)methoxy]propan-1-ol
SMILESCCc1cc2c(c(COCCCO)c1)CCCC2
InChIInChI=1S/C16H24O2/c1-2-13-10-14-6-3-4-7-16(14)15(11-13)12-18-9-5-8-17/h10-11,17H,2-9,12H2,1H3
InChIKeyZBFJCYUOVAVGEK-UHFFFAOYSA-N
XLogP3.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyl-5,6,7,8-tetrahydronaphthalen-1-yl)methoxy]propan-1-ol?
The IUPAC name of 3-[(3-ethyl-5,6,7,8-tetrahydronaphthalen-1-yl)methoxy]propan-1-ol (CID 70847096) is 3-[(3-ethyl-5,6,7,8-tetrahydronaphthalen-1-yl)methoxy]propan-1-ol.
What is the SMILES notation for 3-[(3-ethyl-5,6,7,8-tetrahydronaphthalen-1-yl)methoxy]propan-1-ol?
The canonical SMILES for 3-[(3-ethyl-5,6,7,8-tetrahydronaphthalen-1-yl)methoxy]propan-1-ol is CCc1cc2c(c(COCCCO)c1)CCCC2.
What is the InChIKey of 3-[(3-ethyl-5,6,7,8-tetrahydronaphthalen-1-yl)methoxy]propan-1-ol?
The InChIKey is ZBFJCYUOVAVGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-2-13-10-14-6-3-4-7-16(14)15(11-13)12-18-9-5-8-17/h10-11,17H,2-9,12H2,1H3.
What are the key properties of 3-[(3-ethyl-5,6,7,8-tetrahydronaphthalen-1-yl)methoxy]propan-1-ol?
3-[(3-ethyl-5,6,7,8-tetrahydronaphthalen-1-yl)methoxy]propan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyl-5,6,7,8-tetrahydronaphthalen-1-yl)methoxy]propan-1-ol is sourced from PubChem (CID 70847096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).