6-bromo-2-(2-ethylhexyl)-3,4-dihydro-1H-naphthalen-2-ol

C18H27BrO — CID 63631677

IUPAC6-bromo-2-(2-ethylhexyl)-3,4-dihydro-1H-naphthalen-2-ol
SMILESCCCCC(CC)CC1(O)CCc2cc(Br)ccc2C1
InChIInChI=1S/C18H27BrO/c1-3-5-6-14(4-2)12-18(20)10-9-15-11-17(19)8-7-16(15)13-18/h7-8,11,14,20H,3-6,9-10,12-13H2,1-2H3
InChIKeyGQMKSFHKCQSXJD-UHFFFAOYSA-N
MW339.32 g/mol
LogP5.28
Rot. Bonds6

About 6-bromo-2-(2-ethylhexyl)-3,4-dihydro-1H-naphthalen-2-ol

6-bromo-2-(2-ethylhexyl)-3,4-dihydro-1H-naphthalen-2-ol (PubChem CID 63631677) has the molecular formula C18H27BrO and a molecular weight of 339.32 g/mol. Its IUPAC name is 6-bromo-2-(2-ethylhexyl)-3,4-dihydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name6-bromo-2-(2-ethylhexyl)-3,4-dihydro-1H-naphthalen-2-ol
PubChem CID63631677
Molecular FormulaC18H27BrO
Molecular Weight339.32 g/mol
Exact Mass338.12
IUPAC Name6-bromo-2-(2-ethylhexyl)-3,4-dihydro-1H-naphthalen-2-ol
SMILESCCCCC(CC)CC1(O)CCc2cc(Br)ccc2C1
InChIInChI=1S/C18H27BrO/c1-3-5-6-14(4-2)12-18(20)10-9-15-11-17(19)8-7-16(15)13-18/h7-8,11,14,20H,3-6,9-10,12-13H2,1-2H3
InChIKeyGQMKSFHKCQSXJD-UHFFFAOYSA-N
XLogP5.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.32
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-ethylhexyl)-3,4-dihydro-1H-naphthalen-2-ol?
The IUPAC name of 6-bromo-2-(2-ethylhexyl)-3,4-dihydro-1H-naphthalen-2-ol (CID 63631677) is 6-bromo-2-(2-ethylhexyl)-3,4-dihydro-1H-naphthalen-2-ol.
What is the SMILES notation for 6-bromo-2-(2-ethylhexyl)-3,4-dihydro-1H-naphthalen-2-ol?
The canonical SMILES for 6-bromo-2-(2-ethylhexyl)-3,4-dihydro-1H-naphthalen-2-ol is CCCCC(CC)CC1(O)CCc2cc(Br)ccc2C1.
What is the InChIKey of 6-bromo-2-(2-ethylhexyl)-3,4-dihydro-1H-naphthalen-2-ol?
The InChIKey is GQMKSFHKCQSXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrO/c1-3-5-6-14(4-2)12-18(20)10-9-15-11-17(19)8-7-16(15)13-18/h7-8,11,14,20H,3-6,9-10,12-13H2,1-2H3.
What are the key properties of 6-bromo-2-(2-ethylhexyl)-3,4-dihydro-1H-naphthalen-2-ol?
6-bromo-2-(2-ethylhexyl)-3,4-dihydro-1H-naphthalen-2-ol has a molecular weight of 339.32 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-ethylhexyl)-3,4-dihydro-1H-naphthalen-2-ol is sourced from PubChem (CID 63631677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).