1-(4-bromonaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-ol

C17H19BrO2 — CID 79597707

IUPAC1-(4-bromonaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-ol
SMILESOC(CCC1CCCO1)c1ccc(Br)c2ccccc12
InChIInChI=1S/C17H19BrO2/c18-16-9-8-15(13-5-1-2-6-14(13)16)17(19)10-7-12-4-3-11-20-12/h1-2,5-6,8-9,12,17,19H,3-4,7,10-11H2
InChIKeyDFQBTVSREYCDRY-UHFFFAOYSA-N
MW335.24 g/mol
LogP4.59
Rot. Bonds4

About 1-(4-bromonaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-ol

1-(4-bromonaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-ol (PubChem CID 79597707) has the molecular formula C17H19BrO2 and a molecular weight of 335.24 g/mol. Its IUPAC name is 1-(4-bromonaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(4-bromonaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-ol
PubChem CID79597707
Molecular FormulaC17H19BrO2
Molecular Weight335.24 g/mol
Exact Mass334.06
IUPAC Name1-(4-bromonaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-ol
SMILESOC(CCC1CCCO1)c1ccc(Br)c2ccccc12
InChIInChI=1S/C17H19BrO2/c18-16-9-8-15(13-5-1-2-6-14(13)16)17(19)10-7-12-4-3-11-20-12/h1-2,5-6,8-9,12,17,19H,3-4,7,10-11H2
InChIKeyDFQBTVSREYCDRY-UHFFFAOYSA-N
XLogP4.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.24
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromonaphthalen-1-yl)-3-(oxan-2-yl)propan-1-amine
CID 79589897
1-(2-bromo-3-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 107985732
1-(2,3-difluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 107516231
1-(5-bromo-2-chlorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 115809368
1-(2-methylnaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-ol
CID 81432637
1-(5-bromofuran-2-yl)-3-(oxolan-2-yl)propan-1-ol
CID 65162067
1-(2,4-difluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65160611
2-[3-(2-bromophenyl)-4-chlorobutyl]oxolane
CID 79454250
1-(4-fluoronaphthalen-1-yl)-2-(oxolan-2-yl)ethanol
CID 65157648
1-(3-bromophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65161913
3-(oxan-2-yl)-1-quinolin-5-ylpropan-1-ol
CID 115826333
1-(4-chloro-2-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65167483

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromonaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-ol?
The IUPAC name of 1-(4-bromonaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-ol (CID 79597707) is 1-(4-bromonaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-ol.
What is the SMILES notation for 1-(4-bromonaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-ol?
The canonical SMILES for 1-(4-bromonaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-ol is OC(CCC1CCCO1)c1ccc(Br)c2ccccc12.
What is the InChIKey of 1-(4-bromonaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-ol?
The InChIKey is DFQBTVSREYCDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO2/c18-16-9-8-15(13-5-1-2-6-14(13)16)17(19)10-7-12-4-3-11-20-12/h1-2,5-6,8-9,12,17,19H,3-4,7,10-11H2.
What are the key properties of 1-(4-bromonaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-ol?
1-(4-bromonaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-ol has a molecular weight of 335.24 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromonaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-ol is sourced from PubChem (CID 79597707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).