3-bromo-8-chloro-6-(4-methoxyphenyl)naphthalen-2-ol

C17H12BrClO2 — CID 11210712

IUPAC3-bromo-8-chloro-6-(4-methoxyphenyl)naphthalen-2-ol
SMILESCOc1ccc(-c2cc(Cl)c3cc(O)c(Br)cc3c2)cc1
InChIInChI=1S/C17H12BrClO2/c1-21-13-4-2-10(3-5-13)11-6-12-7-15(18)17(20)9-14(12)16(19)8-11/h2-9,20H,1H3
InChIKeyPENOYHRWRASTMD-UHFFFAOYSA-N
MW363.64 g/mol
LogP5.64
Rot. Bonds2

About 3-bromo-8-chloro-6-(4-methoxyphenyl)naphthalen-2-ol

3-bromo-8-chloro-6-(4-methoxyphenyl)naphthalen-2-ol (PubChem CID 11210712) has the molecular formula C17H12BrClO2 and a molecular weight of 363.64 g/mol. Its IUPAC name is 3-bromo-8-chloro-6-(4-methoxyphenyl)naphthalen-2-ol.

Molecular Properties

Compound Name3-bromo-8-chloro-6-(4-methoxyphenyl)naphthalen-2-ol
PubChem CID11210712
Molecular FormulaC17H12BrClO2
Molecular Weight363.64 g/mol
Exact Mass361.97
IUPAC Name3-bromo-8-chloro-6-(4-methoxyphenyl)naphthalen-2-ol
SMILESCOc1ccc(-c2cc(Cl)c3cc(O)c(Br)cc3c2)cc1
InChIInChI=1S/C17H12BrClO2/c1-21-13-4-2-10(3-5-13)11-6-12-7-15(18)17(20)9-14(12)16(19)8-11/h2-9,20H,1H3
InChIKeyPENOYHRWRASTMD-UHFFFAOYSA-N
XLogP5.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.64
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-chloro-6-(4-methoxyphenyl)naphthalen-2-ol?
The IUPAC name of 3-bromo-8-chloro-6-(4-methoxyphenyl)naphthalen-2-ol (CID 11210712) is 3-bromo-8-chloro-6-(4-methoxyphenyl)naphthalen-2-ol.
What is the SMILES notation for 3-bromo-8-chloro-6-(4-methoxyphenyl)naphthalen-2-ol?
The canonical SMILES for 3-bromo-8-chloro-6-(4-methoxyphenyl)naphthalen-2-ol is COc1ccc(-c2cc(Cl)c3cc(O)c(Br)cc3c2)cc1.
What is the InChIKey of 3-bromo-8-chloro-6-(4-methoxyphenyl)naphthalen-2-ol?
The InChIKey is PENOYHRWRASTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrClO2/c1-21-13-4-2-10(3-5-13)11-6-12-7-15(18)17(20)9-14(12)16(19)8-11/h2-9,20H,1H3.
What are the key properties of 3-bromo-8-chloro-6-(4-methoxyphenyl)naphthalen-2-ol?
3-bromo-8-chloro-6-(4-methoxyphenyl)naphthalen-2-ol has a molecular weight of 363.64 g/mol, XLogP of 5.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-chloro-6-(4-methoxyphenyl)naphthalen-2-ol is sourced from PubChem (CID 11210712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).