ethane;2-(4-methylphenyl)-4,4a-dihydronaphthalen-1-ol

C19H22O — CID 144703513

IUPACethane;2-(4-methylphenyl)-4,4a-dihydronaphthalen-1-ol
SMILESCC.Cc1ccc(C2=CCC3C=CC=CC3=C2O)cc1
InChIInChI=1S/C17H16O.C2H6/c1-12-6-8-14(9-7-12)16-11-10-13-4-2-3-5-15(13)17(16)18;1-2/h2-9,11,13,18H,10H2,1H3;1-2H3
InChIKeyDMKXVGKOBVAZIJ-UHFFFAOYSA-N
MW266.38 g/mol
LogP5.36
Rot. Bonds1

About ethane;2-(4-methylphenyl)-4,4a-dihydronaphthalen-1-ol

ethane;2-(4-methylphenyl)-4,4a-dihydronaphthalen-1-ol (PubChem CID 144703513) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is ethane;2-(4-methylphenyl)-4,4a-dihydronaphthalen-1-ol.

Molecular Properties

Compound Nameethane;2-(4-methylphenyl)-4,4a-dihydronaphthalen-1-ol
PubChem CID144703513
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Nameethane;2-(4-methylphenyl)-4,4a-dihydronaphthalen-1-ol
SMILESCC.Cc1ccc(C2=CCC3C=CC=CC3=C2O)cc1
InChIInChI=1S/C17H16O.C2H6/c1-12-6-8-14(9-7-12)16-11-10-13-4-2-3-5-15(13)17(16)18;1-2/h2-9,11,13,18H,10H2,1H3;1-2H3
InChIKeyDMKXVGKOBVAZIJ-UHFFFAOYSA-N
XLogP5.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.38
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(4-methylphenyl)-4,4a-dihydronaphthalen-1-ol?
The IUPAC name of ethane;2-(4-methylphenyl)-4,4a-dihydronaphthalen-1-ol (CID 144703513) is ethane;2-(4-methylphenyl)-4,4a-dihydronaphthalen-1-ol.
What is the SMILES notation for ethane;2-(4-methylphenyl)-4,4a-dihydronaphthalen-1-ol?
The canonical SMILES for ethane;2-(4-methylphenyl)-4,4a-dihydronaphthalen-1-ol is CC.Cc1ccc(C2=CCC3C=CC=CC3=C2O)cc1.
What is the InChIKey of ethane;2-(4-methylphenyl)-4,4a-dihydronaphthalen-1-ol?
The InChIKey is DMKXVGKOBVAZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O.C2H6/c1-12-6-8-14(9-7-12)16-11-10-13-4-2-3-5-15(13)17(16)18;1-2/h2-9,11,13,18H,10H2,1H3;1-2H3.
What are the key properties of ethane;2-(4-methylphenyl)-4,4a-dihydronaphthalen-1-ol?
ethane;2-(4-methylphenyl)-4,4a-dihydronaphthalen-1-ol has a molecular weight of 266.38 g/mol, XLogP of 5.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(4-methylphenyl)-4,4a-dihydronaphthalen-1-ol is sourced from PubChem (CID 144703513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).