1-phenylmethoxy-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C20H30O — CID 174511423

IUPAC1-phenylmethoxy-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCCCC1CCC2CCCCC2C1OCc1ccccc1
InChIInChI=1S/C20H30O/c1-2-8-18-14-13-17-11-6-7-12-19(17)20(18)21-15-16-9-4-3-5-10-16/h3-5,9-10,17-20H,2,6-8,11-15H2,1H3
InChIKeyDADKTSLCUSUVGV-UHFFFAOYSA-N
MW286.46 g/mol
LogP5.59
Rot. Bonds5

About 1-phenylmethoxy-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

1-phenylmethoxy-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 174511423) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-phenylmethoxy-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name1-phenylmethoxy-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID174511423
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name1-phenylmethoxy-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCCCC1CCC2CCCCC2C1OCc1ccccc1
InChIInChI=1S/C20H30O/c1-2-8-18-14-13-17-11-6-7-12-19(17)20(18)21-15-16-9-4-3-5-10-16/h3-5,9-10,17-20H,2,6-8,11-15H2,1H3
InChIKeyDADKTSLCUSUVGV-UHFFFAOYSA-N
XLogP5.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxy-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 1-phenylmethoxy-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 174511423) is 1-phenylmethoxy-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 1-phenylmethoxy-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 1-phenylmethoxy-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is CCCC1CCC2CCCCC2C1OCc1ccccc1.
What is the InChIKey of 1-phenylmethoxy-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is DADKTSLCUSUVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O/c1-2-8-18-14-13-17-11-6-7-12-19(17)20(18)21-15-16-9-4-3-5-10-16/h3-5,9-10,17-20H,2,6-8,11-15H2,1H3.
What are the key properties of 1-phenylmethoxy-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
1-phenylmethoxy-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 286.46 g/mol, XLogP of 5.59, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 174511423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).