2-(1-naphthalen-1-ylnaphthalen-2-yl)ethanol

C22H18O — CID 101270309

IUPAC2-(1-naphthalen-1-ylnaphthalen-2-yl)ethanol
SMILESOCCc1ccc2ccccc2c1-c1cccc2ccccc12
InChIInChI=1S/C22H18O/c23-15-14-18-13-12-17-7-2-4-10-20(17)22(18)21-11-5-8-16-6-1-3-9-19(16)21/h1-13,23H,14-15H2
InChIKeyGFRYYVBKDNKQGN-UHFFFAOYSA-N
MW298.38 g/mol
LogP5.19
Rot. Bonds3

About 2-(1-naphthalen-1-ylnaphthalen-2-yl)ethanol

2-(1-naphthalen-1-ylnaphthalen-2-yl)ethanol (PubChem CID 101270309) has the molecular formula C22H18O and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-(1-naphthalen-1-ylnaphthalen-2-yl)ethanol.

Molecular Properties

Compound Name2-(1-naphthalen-1-ylnaphthalen-2-yl)ethanol
PubChem CID101270309
Molecular FormulaC22H18O
Molecular Weight298.38 g/mol
Exact Mass298.14
IUPAC Name2-(1-naphthalen-1-ylnaphthalen-2-yl)ethanol
SMILESOCCc1ccc2ccccc2c1-c1cccc2ccccc12
InChIInChI=1S/C22H18O/c23-15-14-18-13-12-17-7-2-4-10-20(17)22(18)21-11-5-8-16-6-1-3-9-19(16)21/h1-13,23H,14-15H2
InChIKeyGFRYYVBKDNKQGN-UHFFFAOYSA-N
XLogP5.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.38
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-naphthalen-1-ylnaphthalen-2-yl)ethanol?
The IUPAC name of 2-(1-naphthalen-1-ylnaphthalen-2-yl)ethanol (CID 101270309) is 2-(1-naphthalen-1-ylnaphthalen-2-yl)ethanol.
What is the SMILES notation for 2-(1-naphthalen-1-ylnaphthalen-2-yl)ethanol?
The canonical SMILES for 2-(1-naphthalen-1-ylnaphthalen-2-yl)ethanol is OCCc1ccc2ccccc2c1-c1cccc2ccccc12.
What is the InChIKey of 2-(1-naphthalen-1-ylnaphthalen-2-yl)ethanol?
The InChIKey is GFRYYVBKDNKQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O/c23-15-14-18-13-12-17-7-2-4-10-20(17)22(18)21-11-5-8-16-6-1-3-9-19(16)21/h1-13,23H,14-15H2.
What are the key properties of 2-(1-naphthalen-1-ylnaphthalen-2-yl)ethanol?
2-(1-naphthalen-1-ylnaphthalen-2-yl)ethanol has a molecular weight of 298.38 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-naphthalen-1-ylnaphthalen-2-yl)ethanol is sourced from PubChem (CID 101270309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).