4-(4-bromophenyl)-3-chloro-2-methylnaphthalen-1-ol

C17H12BrClO — CID 86185452

IUPAC4-(4-bromophenyl)-3-chloro-2-methylnaphthalen-1-ol
SMILESCc1c(Cl)c(-c2ccc(Br)cc2)c2ccccc2c1O
InChIInChI=1S/C17H12BrClO/c1-10-16(19)15(11-6-8-12(18)9-7-11)13-4-2-3-5-14(13)17(10)20/h2-9,20H,1H3
InChIKeyOMQYHBRYDRUTMY-UHFFFAOYSA-N
MW347.64 g/mol
LogP5.94
Rot. Bonds1

About 4-(4-bromophenyl)-3-chloro-2-methylnaphthalen-1-ol

4-(4-bromophenyl)-3-chloro-2-methylnaphthalen-1-ol (PubChem CID 86185452) has the molecular formula C17H12BrClO and a molecular weight of 347.64 g/mol. Its IUPAC name is 4-(4-bromophenyl)-3-chloro-2-methylnaphthalen-1-ol.

Molecular Properties

Compound Name4-(4-bromophenyl)-3-chloro-2-methylnaphthalen-1-ol
PubChem CID86185452
Molecular FormulaC17H12BrClO
Molecular Weight347.64 g/mol
Exact Mass345.98
IUPAC Name4-(4-bromophenyl)-3-chloro-2-methylnaphthalen-1-ol
SMILESCc1c(Cl)c(-c2ccc(Br)cc2)c2ccccc2c1O
InChIInChI=1S/C17H12BrClO/c1-10-16(19)15(11-6-8-12(18)9-7-11)13-4-2-3-5-14(13)17(10)20/h2-9,20H,1H3
InChIKeyOMQYHBRYDRUTMY-UHFFFAOYSA-N
XLogP5.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.64
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-3-chloro-2-methylnaphthalen-1-ol?
The IUPAC name of 4-(4-bromophenyl)-3-chloro-2-methylnaphthalen-1-ol (CID 86185452) is 4-(4-bromophenyl)-3-chloro-2-methylnaphthalen-1-ol.
What is the SMILES notation for 4-(4-bromophenyl)-3-chloro-2-methylnaphthalen-1-ol?
The canonical SMILES for 4-(4-bromophenyl)-3-chloro-2-methylnaphthalen-1-ol is Cc1c(Cl)c(-c2ccc(Br)cc2)c2ccccc2c1O.
What is the InChIKey of 4-(4-bromophenyl)-3-chloro-2-methylnaphthalen-1-ol?
The InChIKey is OMQYHBRYDRUTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrClO/c1-10-16(19)15(11-6-8-12(18)9-7-11)13-4-2-3-5-14(13)17(10)20/h2-9,20H,1H3.
What are the key properties of 4-(4-bromophenyl)-3-chloro-2-methylnaphthalen-1-ol?
4-(4-bromophenyl)-3-chloro-2-methylnaphthalen-1-ol has a molecular weight of 347.64 g/mol, XLogP of 5.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-3-chloro-2-methylnaphthalen-1-ol is sourced from PubChem (CID 86185452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).