4-(4-deuterionaphthalen-1-yl)phenol

C16H12O — CID 71601570

IUPAC4-(4-deuterionaphthalen-1-yl)phenol
SMILES[2H]c1ccc(-c2ccc(O)cc2)c2ccccc12
InChIInChI=1S/C16H12O/c17-14-10-8-13(9-11-14)16-7-3-5-12-4-1-2-6-15(12)16/h1-11,17H/i5D
InChIKeyUEULEVKFYSYUCZ-UICOGKGYSA-N
MW221.28 g/mol
LogP4.21
Rot. Bonds1

About 4-(4-deuterionaphthalen-1-yl)phenol

4-(4-deuterionaphthalen-1-yl)phenol (PubChem CID 71601570) has the molecular formula C16H12O and a molecular weight of 221.28 g/mol. Its IUPAC name is 4-(4-deuterionaphthalen-1-yl)phenol.

Molecular Properties

Compound Name4-(4-deuterionaphthalen-1-yl)phenol
PubChem CID71601570
Molecular FormulaC16H12O
Molecular Weight221.28 g/mol
Exact Mass221.10
IUPAC Name4-(4-deuterionaphthalen-1-yl)phenol
SMILES[2H]c1ccc(-c2ccc(O)cc2)c2ccccc12
InChIInChI=1S/C16H12O/c17-14-10-8-13(9-11-14)16-7-3-5-12-4-1-2-6-15(12)16/h1-11,17H/i5D
InChIKeyUEULEVKFYSYUCZ-UICOGKGYSA-N
XLogP4.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-deuterionaphthalen-1-yl)phenol?
The IUPAC name of 4-(4-deuterionaphthalen-1-yl)phenol (CID 71601570) is 4-(4-deuterionaphthalen-1-yl)phenol.
What is the SMILES notation for 4-(4-deuterionaphthalen-1-yl)phenol?
The canonical SMILES for 4-(4-deuterionaphthalen-1-yl)phenol is [2H]c1ccc(-c2ccc(O)cc2)c2ccccc12.
What is the InChIKey of 4-(4-deuterionaphthalen-1-yl)phenol?
The InChIKey is UEULEVKFYSYUCZ-UICOGKGYSA-N. The full InChI is InChI=1S/C16H12O/c17-14-10-8-13(9-11-14)16-7-3-5-12-4-1-2-6-15(12)16/h1-11,17H/i5D.
What are the key properties of 4-(4-deuterionaphthalen-1-yl)phenol?
4-(4-deuterionaphthalen-1-yl)phenol has a molecular weight of 221.28 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-deuterionaphthalen-1-yl)phenol is sourced from PubChem (CID 71601570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).