2-[(2-bromophenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-ol

C15H21BrO2 — CID 103142494

IUPAC2-[(2-bromophenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-ol
SMILESCC1CCC(CC(CO)Cc2ccccc2Br)O1
InChIInChI=1S/C15H21BrO2/c1-11-6-7-14(18-11)9-12(10-17)8-13-4-2-3-5-15(13)16/h2-5,11-12,14,17H,6-10H2,1H3
InChIKeyDTWURIAGSMPNNW-UHFFFAOYSA-N
MW313.23 g/mol
LogP3.56
Rot. Bonds5

About 2-[(2-bromophenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-ol

2-[(2-bromophenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-ol (PubChem CID 103142494) has the molecular formula C15H21BrO2 and a molecular weight of 313.23 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-ol
PubChem CID103142494
Molecular FormulaC15H21BrO2
Molecular Weight313.23 g/mol
Exact Mass312.07
IUPAC Name2-[(2-bromophenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-ol
SMILESCC1CCC(CC(CO)Cc2ccccc2Br)O1
InChIInChI=1S/C15H21BrO2/c1-11-6-7-14(18-11)9-12(10-17)8-13-4-2-3-5-15(13)16/h2-5,11-12,14,17H,6-10H2,1H3
InChIKeyDTWURIAGSMPNNW-UHFFFAOYSA-N
XLogP3.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-5-methyloxolane
CID 103142686
2-[(3-chlorophenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-ol
CID 103142480
2-[(2-bromophenyl)methyl]-3-(2,3-dihydro-1-benzothiophen-3-yl)propan-1-ol
CID 79218191
2-benzyl-N-methyl-3-(5-methyloxolan-2-yl)propan-1-amine
CID 103138163
2-[2-[(2-bromophenyl)methyl]-3-chloropropyl]oxolane
CID 66049471
2-[[2-bromo-6-(chloromethyl)phenoxy]methyl]-5-methyloxolane
CID 103135384
2-[(2-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)propan-1-ol
CID 66037859
2-[(4-bromophenyl)methyl]-3-(5-methyloxolan-2-yl)-N-propan-2-ylpropan-1-amine
CID 103138259
N-[(2S)-2-[(2-bromophenyl)methyl]-3-hydroxypropyl]cyclohexanecarboxamide
CID 100634985
benzoic acid;[(2R,5S)-5-methyloxolan-2-yl]methanol
CID 71407809
2,6-dibromo-N-[(5-methyloxolan-2-yl)methyl]aniline
CID 107597405
2-[(2-bromophenyl)methyl]-3-(4-iodophenyl)propan-1-ol
CID 66040471

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-ol?
The IUPAC name of 2-[(2-bromophenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-ol (CID 103142494) is 2-[(2-bromophenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-ol.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-ol?
The canonical SMILES for 2-[(2-bromophenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-ol is CC1CCC(CC(CO)Cc2ccccc2Br)O1.
What is the InChIKey of 2-[(2-bromophenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-ol?
The InChIKey is DTWURIAGSMPNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrO2/c1-11-6-7-14(18-11)9-12(10-17)8-13-4-2-3-5-15(13)16/h2-5,11-12,14,17H,6-10H2,1H3.
What are the key properties of 2-[(2-bromophenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-ol?
2-[(2-bromophenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-ol has a molecular weight of 313.23 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-ol is sourced from PubChem (CID 103142494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).