5-[(2-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol

C17H17BrO2 — CID 60711761

IUPAC5-[(2-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESOC1CCCc2c(OCc3ccccc3Br)cccc21
InChIInChI=1S/C17H17BrO2/c18-15-8-2-1-5-12(15)11-20-17-10-4-6-13-14(17)7-3-9-16(13)19/h1-2,4-6,8,10,16,19H,3,7,9,11H2
InChIKeyFFNLTQXBIBLORM-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.40
Rot. Bonds3

About 5-[(2-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol

5-[(2-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 60711761) has the molecular formula C17H17BrO2 and a molecular weight of 333.23 g/mol. Its IUPAC name is 5-[(2-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name5-[(2-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID60711761
Molecular FormulaC17H17BrO2
Molecular Weight333.23 g/mol
Exact Mass332.04
IUPAC Name5-[(2-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESOC1CCCc2c(OCc3ccccc3Br)cccc21
InChIInChI=1S/C17H17BrO2/c18-15-8-2-1-5-12(15)11-20-17-10-4-6-13-14(17)7-3-9-16(13)19/h1-2,4-6,8,10,16,19H,3,7,9,11H2
InChIKeyFFNLTQXBIBLORM-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-bromophenyl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 63091043
5-[(2-bromo-4-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 60711814
5-[(2-bromophenyl)methoxy]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65456121
5-[(2-chloro-5-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 102616513
5-(2,2-difluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 65456544
5-[(3,4-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 60627582
5-(1,2,4-oxadiazol-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 60703094
5-[(2-bromophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 65456345
5-(2-phenylsulfanylethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79228032
5-(cyclopropylmethoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 106929819
(1R)-5-[(5-chlorothiadiazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 94178772
5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 60746651

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 5-[(2-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol (CID 60711761) is 5-[(2-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 5-[(2-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 5-[(2-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol is OC1CCCc2c(OCc3ccccc3Br)cccc21.
What is the InChIKey of 5-[(2-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is FFNLTQXBIBLORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO2/c18-15-8-2-1-5-12(15)11-20-17-10-4-6-13-14(17)7-3-9-16(13)19/h1-2,4-6,8,10,16,19H,3,7,9,11H2.
What are the key properties of 5-[(2-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol?
5-[(2-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 333.23 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 60711761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).