1-(1-bromonaphthalen-2-yl)but-3-en-1-ol

C14H13BrO — CID 134857392

IUPAC1-(1-bromonaphthalen-2-yl)but-3-en-1-ol
SMILESC=CCC(O)c1ccc2ccccc2c1Br
InChIInChI=1S/C14H13BrO/c1-2-5-13(16)12-9-8-10-6-3-4-7-11(10)14(12)15/h2-4,6-9,13,16H,1,5H2
InChIKeyAOGXNZMMEQAUMC-UHFFFAOYSA-N
MW277.16 g/mol
LogP4.21
Rot. Bonds3

About 1-(1-bromonaphthalen-2-yl)but-3-en-1-ol

1-(1-bromonaphthalen-2-yl)but-3-en-1-ol (PubChem CID 134857392) has the molecular formula C14H13BrO and a molecular weight of 277.16 g/mol. Its IUPAC name is 1-(1-bromonaphthalen-2-yl)but-3-en-1-ol.

Molecular Properties

Compound Name1-(1-bromonaphthalen-2-yl)but-3-en-1-ol
PubChem CID134857392
Molecular FormulaC14H13BrO
Molecular Weight277.16 g/mol
Exact Mass276.01
IUPAC Name1-(1-bromonaphthalen-2-yl)but-3-en-1-ol
SMILESC=CCC(O)c1ccc2ccccc2c1Br
InChIInChI=1S/C14H13BrO/c1-2-5-13(16)12-9-8-10-6-3-4-7-11(10)14(12)15/h2-4,6-9,13,16H,1,5H2
InChIKeyAOGXNZMMEQAUMC-UHFFFAOYSA-N
XLogP4.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.16
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-bromonaphthalen-2-yl)but-3-en-1-ol?
The IUPAC name of 1-(1-bromonaphthalen-2-yl)but-3-en-1-ol (CID 134857392) is 1-(1-bromonaphthalen-2-yl)but-3-en-1-ol.
What is the SMILES notation for 1-(1-bromonaphthalen-2-yl)but-3-en-1-ol?
The canonical SMILES for 1-(1-bromonaphthalen-2-yl)but-3-en-1-ol is C=CCC(O)c1ccc2ccccc2c1Br.
What is the InChIKey of 1-(1-bromonaphthalen-2-yl)but-3-en-1-ol?
The InChIKey is AOGXNZMMEQAUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO/c1-2-5-13(16)12-9-8-10-6-3-4-7-11(10)14(12)15/h2-4,6-9,13,16H,1,5H2.
What are the key properties of 1-(1-bromonaphthalen-2-yl)but-3-en-1-ol?
1-(1-bromonaphthalen-2-yl)but-3-en-1-ol has a molecular weight of 277.16 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromonaphthalen-2-yl)but-3-en-1-ol is sourced from PubChem (CID 134857392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).