3-bromo-7-ethyl-4-(4-ethylphenyl)naphthalen-1-ol

C20H19BrO — CID 13393733

IUPAC3-bromo-7-ethyl-4-(4-ethylphenyl)naphthalen-1-ol
SMILESCCc1ccc(-c2c(Br)cc(O)c3cc(CC)ccc23)cc1
InChIInChI=1S/C20H19BrO/c1-3-13-5-8-15(9-6-13)20-16-10-7-14(4-2)11-17(16)19(22)12-18(20)21/h5-12,22H,3-4H2,1-2H3
InChIKeyCJJVSZCMFOUZFE-UHFFFAOYSA-N
MW355.28 g/mol
LogP6.10
Rot. Bonds3

About 3-bromo-7-ethyl-4-(4-ethylphenyl)naphthalen-1-ol

3-bromo-7-ethyl-4-(4-ethylphenyl)naphthalen-1-ol (PubChem CID 13393733) has the molecular formula C20H19BrO and a molecular weight of 355.28 g/mol. Its IUPAC name is 3-bromo-7-ethyl-4-(4-ethylphenyl)naphthalen-1-ol.

Molecular Properties

Compound Name3-bromo-7-ethyl-4-(4-ethylphenyl)naphthalen-1-ol
PubChem CID13393733
Molecular FormulaC20H19BrO
Molecular Weight355.28 g/mol
Exact Mass354.06
IUPAC Name3-bromo-7-ethyl-4-(4-ethylphenyl)naphthalen-1-ol
SMILESCCc1ccc(-c2c(Br)cc(O)c3cc(CC)ccc23)cc1
InChIInChI=1S/C20H19BrO/c1-3-13-5-8-15(9-6-13)20-16-10-7-14(4-2)11-17(16)19(22)12-18(20)21/h5-12,22H,3-4H2,1-2H3
InChIKeyCJJVSZCMFOUZFE-UHFFFAOYSA-N
XLogP6.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.28
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-ethyl-4-(4-ethylphenyl)naphthalen-1-ol?
The IUPAC name of 3-bromo-7-ethyl-4-(4-ethylphenyl)naphthalen-1-ol (CID 13393733) is 3-bromo-7-ethyl-4-(4-ethylphenyl)naphthalen-1-ol.
What is the SMILES notation for 3-bromo-7-ethyl-4-(4-ethylphenyl)naphthalen-1-ol?
The canonical SMILES for 3-bromo-7-ethyl-4-(4-ethylphenyl)naphthalen-1-ol is CCc1ccc(-c2c(Br)cc(O)c3cc(CC)ccc23)cc1.
What is the InChIKey of 3-bromo-7-ethyl-4-(4-ethylphenyl)naphthalen-1-ol?
The InChIKey is CJJVSZCMFOUZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrO/c1-3-13-5-8-15(9-6-13)20-16-10-7-14(4-2)11-17(16)19(22)12-18(20)21/h5-12,22H,3-4H2,1-2H3.
What are the key properties of 3-bromo-7-ethyl-4-(4-ethylphenyl)naphthalen-1-ol?
3-bromo-7-ethyl-4-(4-ethylphenyl)naphthalen-1-ol has a molecular weight of 355.28 g/mol, XLogP of 6.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-ethyl-4-(4-ethylphenyl)naphthalen-1-ol is sourced from PubChem (CID 13393733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).