1-(4-bromo-3-methoxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)ethanol

C15H21BrO2 — CID 22490951

IUPAC1-(4-bromo-3-methoxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)ethanol
SMILESCOc1c(C(C)O)cc2c(c1Br)C(C)(C)CCC2
InChIInChI=1S/C15H21BrO2/c1-9(17)11-8-10-6-5-7-15(2,3)12(10)13(16)14(11)18-4/h8-9,17H,5-7H2,1-4H3
InChIKeyCRPAVYAUSUYGRL-UHFFFAOYSA-N
MW313.24 g/mol
LogP4.12
Rot. Bonds2

About 1-(4-bromo-3-methoxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)ethanol

1-(4-bromo-3-methoxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)ethanol (PubChem CID 22490951) has the molecular formula C15H21BrO2 and a molecular weight of 313.24 g/mol. Its IUPAC name is 1-(4-bromo-3-methoxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-3-methoxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)ethanol
PubChem CID22490951
Molecular FormulaC15H21BrO2
Molecular Weight313.24 g/mol
Exact Mass312.07
IUPAC Name1-(4-bromo-3-methoxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)ethanol
SMILESCOc1c(C(C)O)cc2c(c1Br)C(C)(C)CCC2
InChIInChI=1S/C15H21BrO2/c1-9(17)11-8-10-6-5-7-15(2,3)12(10)13(16)14(11)18-4/h8-9,17H,5-7H2,1-4H3
InChIKeyCRPAVYAUSUYGRL-UHFFFAOYSA-N
XLogP4.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methoxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)ethanol?
The IUPAC name of 1-(4-bromo-3-methoxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)ethanol (CID 22490951) is 1-(4-bromo-3-methoxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)ethanol.
What is the SMILES notation for 1-(4-bromo-3-methoxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)ethanol?
The canonical SMILES for 1-(4-bromo-3-methoxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)ethanol is COc1c(C(C)O)cc2c(c1Br)C(C)(C)CCC2.
What is the InChIKey of 1-(4-bromo-3-methoxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)ethanol?
The InChIKey is CRPAVYAUSUYGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrO2/c1-9(17)11-8-10-6-5-7-15(2,3)12(10)13(16)14(11)18-4/h8-9,17H,5-7H2,1-4H3.
What are the key properties of 1-(4-bromo-3-methoxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)ethanol?
1-(4-bromo-3-methoxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)ethanol has a molecular weight of 313.24 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methoxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)ethanol is sourced from PubChem (CID 22490951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).