[4-bromo-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]methanol

C17H17BrO2 — CID 63539756

IUPAC[4-bromo-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]methanol
SMILESOCc1ccc(Br)cc1Oc1ccc2c(c1)CCCC2
InChIInChI=1S/C17H17BrO2/c18-15-7-5-14(11-19)17(10-15)20-16-8-6-12-3-1-2-4-13(12)9-16/h5-10,19H,1-4,11H2
InChIKeyRPTZBQPNJRVHIC-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.61
Rot. Bonds3

About [4-bromo-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]methanol

[4-bromo-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]methanol (PubChem CID 63539756) has the molecular formula C17H17BrO2 and a molecular weight of 333.23 g/mol. Its IUPAC name is [4-bromo-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]methanol.

Molecular Properties

Compound Name[4-bromo-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]methanol
PubChem CID63539756
Molecular FormulaC17H17BrO2
Molecular Weight333.23 g/mol
Exact Mass332.04
IUPAC Name[4-bromo-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]methanol
SMILESOCc1ccc(Br)cc1Oc1ccc2c(c1)CCCC2
InChIInChI=1S/C17H17BrO2/c18-15-7-5-14(11-19)17(10-15)20-16-8-6-12-3-1-2-4-13(12)9-16/h5-10,19H,1-4,11H2
InChIKeyRPTZBQPNJRVHIC-UHFFFAOYSA-N
XLogP4.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-bromo-2-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methanol
CID 43174103
[4-bromo-2-(3-bromo-4-fluorophenoxy)phenyl]methanol
CID 83234633
1-[4-bromo-2-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol
CID 82970896
[4-(2,3-dihydro-1H-inden-5-yloxy)-2-methylphenyl]methanol
CID 62134379
4-bromo-2-(2,3-dihydro-1H-inden-5-yloxy)benzaldehyde
CID 43364721
[4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methanol
CID 28946173
[4-bromo-2-(4-propoxyphenoxy)phenyl]methanol
CID 43174104
5-[2-(bromomethyl)-5-chlorophenoxy]-2,3-dihydro-1H-indene
CID 107087384
[2-bromo-4-(2,3-dihydro-1H-inden-5-yloxy)-3-fluorophenyl]methanamine
CID 107532626
[2-(2,3-dihydro-1H-inden-5-yloxy)-3-pyridinyl]methanol
CID 61257544
2-(4-bromophenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
CID 113101586
N-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]methyl]ethanamine
CID 63552028

Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]methanol?
The IUPAC name of [4-bromo-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]methanol (CID 63539756) is [4-bromo-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]methanol.
What is the SMILES notation for [4-bromo-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]methanol?
The canonical SMILES for [4-bromo-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]methanol is OCc1ccc(Br)cc1Oc1ccc2c(c1)CCCC2.
What is the InChIKey of [4-bromo-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]methanol?
The InChIKey is RPTZBQPNJRVHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO2/c18-15-7-5-14(11-19)17(10-15)20-16-8-6-12-3-1-2-4-13(12)9-16/h5-10,19H,1-4,11H2.
What are the key properties of [4-bromo-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]methanol?
[4-bromo-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]methanol has a molecular weight of 333.23 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]methanol is sourced from PubChem (CID 63539756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).