ethane;2-ethylnaphthalene;6-methylnaphthalen-2-ol

C25H28O — CID 143631161

IUPACethane;2-ethylnaphthalene;6-methylnaphthalen-2-ol
SMILESCC.CCc1ccc2ccccc2c1.Cc1ccc2cc(O)ccc2c1
InChIInChI=1S/C12H12.C11H10O.C2H6/c1-2-10-7-8-11-5-3-4-6-12(11)9-10;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-2/h3-9H,2H2,1H3;2-7,12H,1H3;1-2H3
InChIKeyAQIUTNQLVWCJMR-UHFFFAOYSA-N
MW344.50 g/mol
LogP7.28
Rot. Bonds1

About ethane;2-ethylnaphthalene;6-methylnaphthalen-2-ol

ethane;2-ethylnaphthalene;6-methylnaphthalen-2-ol (PubChem CID 143631161) has the molecular formula C25H28O and a molecular weight of 344.50 g/mol. Its IUPAC name is ethane;2-ethylnaphthalene;6-methylnaphthalen-2-ol.

Molecular Properties

Compound Nameethane;2-ethylnaphthalene;6-methylnaphthalen-2-ol
PubChem CID143631161
Molecular FormulaC25H28O
Molecular Weight344.50 g/mol
Exact Mass344.21
IUPAC Nameethane;2-ethylnaphthalene;6-methylnaphthalen-2-ol
SMILESCC.CCc1ccc2ccccc2c1.Cc1ccc2cc(O)ccc2c1
InChIInChI=1S/C12H12.C11H10O.C2H6/c1-2-10-7-8-11-5-3-4-6-12(11)9-10;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-2/h3-9H,2H2,1H3;2-7,12H,1H3;1-2H3
InChIKeyAQIUTNQLVWCJMR-UHFFFAOYSA-N
XLogP7.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 57.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethylnaphthalene;6-methylnaphthalen-2-ol?
The IUPAC name of ethane;2-ethylnaphthalene;6-methylnaphthalen-2-ol (CID 143631161) is ethane;2-ethylnaphthalene;6-methylnaphthalen-2-ol.
What is the SMILES notation for ethane;2-ethylnaphthalene;6-methylnaphthalen-2-ol?
The canonical SMILES for ethane;2-ethylnaphthalene;6-methylnaphthalen-2-ol is CC.CCc1ccc2ccccc2c1.Cc1ccc2cc(O)ccc2c1.
What is the InChIKey of ethane;2-ethylnaphthalene;6-methylnaphthalen-2-ol?
The InChIKey is AQIUTNQLVWCJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12.C11H10O.C2H6/c1-2-10-7-8-11-5-3-4-6-12(11)9-10;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-2/h3-9H,2H2,1H3;2-7,12H,1H3;1-2H3.
What are the key properties of ethane;2-ethylnaphthalene;6-methylnaphthalen-2-ol?
ethane;2-ethylnaphthalene;6-methylnaphthalen-2-ol has a molecular weight of 344.50 g/mol, XLogP of 7.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethylnaphthalene;6-methylnaphthalen-2-ol is sourced from PubChem (CID 143631161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).