4-bromo-2,7-dimethyl-5,6-dihydronaphthalen-1-ol

C12H13BrO — CID 121011731

IUPAC4-bromo-2,7-dimethyl-5,6-dihydronaphthalen-1-ol
SMILESCC1=Cc2c(O)c(C)cc(Br)c2CC1
InChIInChI=1S/C12H13BrO/c1-7-3-4-9-10(5-7)12(14)8(2)6-11(9)13/h5-6,14H,3-4H2,1-2H3
InChIKeyZDFUGNLHOYJETL-UHFFFAOYSA-N
MW253.14 g/mol
LogP3.81
Rot. Bonds

About 4-bromo-2,7-dimethyl-5,6-dihydronaphthalen-1-ol

4-bromo-2,7-dimethyl-5,6-dihydronaphthalen-1-ol (PubChem CID 121011731) has the molecular formula C12H13BrO and a molecular weight of 253.14 g/mol. Its IUPAC name is 4-bromo-2,7-dimethyl-5,6-dihydronaphthalen-1-ol.

Molecular Properties

Compound Name4-bromo-2,7-dimethyl-5,6-dihydronaphthalen-1-ol
PubChem CID121011731
Molecular FormulaC12H13BrO
Molecular Weight253.14 g/mol
Exact Mass252.01
IUPAC Name4-bromo-2,7-dimethyl-5,6-dihydronaphthalen-1-ol
SMILESCC1=Cc2c(O)c(C)cc(Br)c2CC1
InChIInChI=1S/C12H13BrO/c1-7-3-4-9-10(5-7)12(14)8(2)6-11(9)13/h5-6,14H,3-4H2,1-2H3
InChIKeyZDFUGNLHOYJETL-UHFFFAOYSA-N
XLogP3.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,7-dimethyl-5,6-dihydronaphthalen-1-ol?
The IUPAC name of 4-bromo-2,7-dimethyl-5,6-dihydronaphthalen-1-ol (CID 121011731) is 4-bromo-2,7-dimethyl-5,6-dihydronaphthalen-1-ol.
What is the SMILES notation for 4-bromo-2,7-dimethyl-5,6-dihydronaphthalen-1-ol?
The canonical SMILES for 4-bromo-2,7-dimethyl-5,6-dihydronaphthalen-1-ol is CC1=Cc2c(O)c(C)cc(Br)c2CC1.
What is the InChIKey of 4-bromo-2,7-dimethyl-5,6-dihydronaphthalen-1-ol?
The InChIKey is ZDFUGNLHOYJETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrO/c1-7-3-4-9-10(5-7)12(14)8(2)6-11(9)13/h5-6,14H,3-4H2,1-2H3.
What are the key properties of 4-bromo-2,7-dimethyl-5,6-dihydronaphthalen-1-ol?
4-bromo-2,7-dimethyl-5,6-dihydronaphthalen-1-ol has a molecular weight of 253.14 g/mol, XLogP of 3.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,7-dimethyl-5,6-dihydronaphthalen-1-ol is sourced from PubChem (CID 121011731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).