(2-bromo-4-methylnaphthalen-1-yl)methanol

C12H11BrO — CID 15757585

IUPAC(2-bromo-4-methylnaphthalen-1-yl)methanol
SMILESCc1cc(Br)c(CO)c2ccccc12
InChIInChI=1S/C12H11BrO/c1-8-6-12(13)11(7-14)10-5-3-2-4-9(8)10/h2-6,14H,7H2,1H3
InChIKeyXEXLUTQHGOLMLN-UHFFFAOYSA-N
MW251.12 g/mol
LogP3.40
Rot. Bonds1

About (2-bromo-4-methylnaphthalen-1-yl)methanol

(2-bromo-4-methylnaphthalen-1-yl)methanol (PubChem CID 15757585) has the molecular formula C12H11BrO and a molecular weight of 251.12 g/mol. Its IUPAC name is (2-bromo-4-methylnaphthalen-1-yl)methanol.

Molecular Properties

Compound Name(2-bromo-4-methylnaphthalen-1-yl)methanol
PubChem CID15757585
Molecular FormulaC12H11BrO
Molecular Weight251.12 g/mol
Exact Mass250.00
IUPAC Name(2-bromo-4-methylnaphthalen-1-yl)methanol
SMILESCc1cc(Br)c(CO)c2ccccc12
InChIInChI=1S/C12H11BrO/c1-8-6-12(13)11(7-14)10-5-3-2-4-9(8)10/h2-6,14H,7H2,1H3
InChIKeyXEXLUTQHGOLMLN-UHFFFAOYSA-N
XLogP3.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.12
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-methylnaphthalen-1-yl)methanol?
The IUPAC name of (2-bromo-4-methylnaphthalen-1-yl)methanol (CID 15757585) is (2-bromo-4-methylnaphthalen-1-yl)methanol.
What is the SMILES notation for (2-bromo-4-methylnaphthalen-1-yl)methanol?
The canonical SMILES for (2-bromo-4-methylnaphthalen-1-yl)methanol is Cc1cc(Br)c(CO)c2ccccc12.
What is the InChIKey of (2-bromo-4-methylnaphthalen-1-yl)methanol?
The InChIKey is XEXLUTQHGOLMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO/c1-8-6-12(13)11(7-14)10-5-3-2-4-9(8)10/h2-6,14H,7H2,1H3.
What are the key properties of (2-bromo-4-methylnaphthalen-1-yl)methanol?
(2-bromo-4-methylnaphthalen-1-yl)methanol has a molecular weight of 251.12 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-methylnaphthalen-1-yl)methanol is sourced from PubChem (CID 15757585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).