3-bromo-4-(2,5-dichlorophenyl)-2-methylnaphthalen-1-ol

C17H11BrCl2O — CID 10523931

IUPAC3-bromo-4-(2,5-dichlorophenyl)-2-methylnaphthalen-1-ol
SMILESCc1c(Br)c(-c2cc(Cl)ccc2Cl)c2ccccc2c1O
InChIInChI=1S/C17H11BrCl2O/c1-9-16(18)15(13-8-10(19)6-7-14(13)20)11-4-2-3-5-12(11)17(9)21/h2-8,21H,1H3
InChIKeyCBTPNVIPRULTEY-UHFFFAOYSA-N
MW382.08 g/mol
LogP6.59
Rot. Bonds1

About 3-bromo-4-(2,5-dichlorophenyl)-2-methylnaphthalen-1-ol

3-bromo-4-(2,5-dichlorophenyl)-2-methylnaphthalen-1-ol (PubChem CID 10523931) has the molecular formula C17H11BrCl2O and a molecular weight of 382.08 g/mol. Its IUPAC name is 3-bromo-4-(2,5-dichlorophenyl)-2-methylnaphthalen-1-ol.

Molecular Properties

Compound Name3-bromo-4-(2,5-dichlorophenyl)-2-methylnaphthalen-1-ol
PubChem CID10523931
Molecular FormulaC17H11BrCl2O
Molecular Weight382.08 g/mol
Exact Mass379.94
IUPAC Name3-bromo-4-(2,5-dichlorophenyl)-2-methylnaphthalen-1-ol
SMILESCc1c(Br)c(-c2cc(Cl)ccc2Cl)c2ccccc2c1O
InChIInChI=1S/C17H11BrCl2O/c1-9-16(18)15(13-8-10(19)6-7-14(13)20)11-4-2-3-5-12(11)17(9)21/h2-8,21H,1H3
InChIKeyCBTPNVIPRULTEY-UHFFFAOYSA-N
XLogP6.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.08
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 171433199

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(2,5-dichlorophenyl)-2-methylnaphthalen-1-ol?
The IUPAC name of 3-bromo-4-(2,5-dichlorophenyl)-2-methylnaphthalen-1-ol (CID 10523931) is 3-bromo-4-(2,5-dichlorophenyl)-2-methylnaphthalen-1-ol.
What is the SMILES notation for 3-bromo-4-(2,5-dichlorophenyl)-2-methylnaphthalen-1-ol?
The canonical SMILES for 3-bromo-4-(2,5-dichlorophenyl)-2-methylnaphthalen-1-ol is Cc1c(Br)c(-c2cc(Cl)ccc2Cl)c2ccccc2c1O.
What is the InChIKey of 3-bromo-4-(2,5-dichlorophenyl)-2-methylnaphthalen-1-ol?
The InChIKey is CBTPNVIPRULTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrCl2O/c1-9-16(18)15(13-8-10(19)6-7-14(13)20)11-4-2-3-5-12(11)17(9)21/h2-8,21H,1H3.
What are the key properties of 3-bromo-4-(2,5-dichlorophenyl)-2-methylnaphthalen-1-ol?
3-bromo-4-(2,5-dichlorophenyl)-2-methylnaphthalen-1-ol has a molecular weight of 382.08 g/mol, XLogP of 6.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(2,5-dichlorophenyl)-2-methylnaphthalen-1-ol is sourced from PubChem (CID 10523931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).