3-bromo-2-phenylnaphthalen-1-ol

C16H11BrO — CID 121316488

IUPAC3-bromo-2-phenylnaphthalen-1-ol
SMILESOc1c(-c2ccccc2)c(Br)cc2ccccc12
InChIInChI=1S/C16H11BrO/c17-14-10-12-8-4-5-9-13(12)16(18)15(14)11-6-2-1-3-7-11/h1-10,18H
InChIKeyAMDNCZCUJRCNGO-UHFFFAOYSA-N
MW299.17 g/mol
LogP4.97
Rot. Bonds1

About 3-bromo-2-phenylnaphthalen-1-ol

3-bromo-2-phenylnaphthalen-1-ol (PubChem CID 121316488) has the molecular formula C16H11BrO and a molecular weight of 299.17 g/mol. Its IUPAC name is 3-bromo-2-phenylnaphthalen-1-ol.

Molecular Properties

Compound Name3-bromo-2-phenylnaphthalen-1-ol
PubChem CID121316488
Molecular FormulaC16H11BrO
Molecular Weight299.17 g/mol
Exact Mass298.00
IUPAC Name3-bromo-2-phenylnaphthalen-1-ol
SMILESOc1c(-c2ccccc2)c(Br)cc2ccccc12
InChIInChI=1S/C16H11BrO/c17-14-10-12-8-4-5-9-13(12)16(18)15(14)11-6-2-1-3-7-11/h1-10,18H
InChIKeyAMDNCZCUJRCNGO-UHFFFAOYSA-N
XLogP4.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-phenylnaphthalen-1-ol?
The IUPAC name of 3-bromo-2-phenylnaphthalen-1-ol (CID 121316488) is 3-bromo-2-phenylnaphthalen-1-ol.
What is the SMILES notation for 3-bromo-2-phenylnaphthalen-1-ol?
The canonical SMILES for 3-bromo-2-phenylnaphthalen-1-ol is Oc1c(-c2ccccc2)c(Br)cc2ccccc12.
What is the InChIKey of 3-bromo-2-phenylnaphthalen-1-ol?
The InChIKey is AMDNCZCUJRCNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrO/c17-14-10-12-8-4-5-9-13(12)16(18)15(14)11-6-2-1-3-7-11/h1-10,18H.
What are the key properties of 3-bromo-2-phenylnaphthalen-1-ol?
3-bromo-2-phenylnaphthalen-1-ol has a molecular weight of 299.17 g/mol, XLogP of 4.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-phenylnaphthalen-1-ol is sourced from PubChem (CID 121316488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).