1-(2-bromo-3-methylphenyl)-3-(oxolan-2-yl)propan-1-ol

C14H19BrO2 — CID 107985732

IUPAC1-(2-bromo-3-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
SMILESCc1cccc(C(O)CCC2CCCO2)c1Br
InChIInChI=1S/C14H19BrO2/c1-10-4-2-6-12(14(10)15)13(16)8-7-11-5-3-9-17-11/h2,4,6,11,13,16H,3,5,7-9H2,1H3
InChIKeyBUOMAJQNWKNGKM-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.75
Rot. Bonds4

About 1-(2-bromo-3-methylphenyl)-3-(oxolan-2-yl)propan-1-ol

1-(2-bromo-3-methylphenyl)-3-(oxolan-2-yl)propan-1-ol (PubChem CID 107985732) has the molecular formula C14H19BrO2 and a molecular weight of 299.21 g/mol. Its IUPAC name is 1-(2-bromo-3-methylphenyl)-3-(oxolan-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(2-bromo-3-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
PubChem CID107985732
Molecular FormulaC14H19BrO2
Molecular Weight299.21 g/mol
Exact Mass298.06
IUPAC Name1-(2-bromo-3-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
SMILESCc1cccc(C(O)CCC2CCCO2)c1Br
InChIInChI=1S/C14H19BrO2/c1-10-4-2-6-12(14(10)15)13(16)8-7-11-5-3-9-17-11/h2,4,6,11,13,16H,3,5,7-9H2,1H3
InChIKeyBUOMAJQNWKNGKM-UHFFFAOYSA-N
XLogP3.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-3-methylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 114024223
1-(2-bromo-3-methylphenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 107985085
1-(2,3-difluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 107516231
1-(4-bromonaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-ol
CID 79597707
1-(3-bromophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65161913
1-(2-methoxy-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65158286
2-(2-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 79421800
1-(5-bromo-2-chlorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 115809368
1-(5-bromofuran-2-yl)-3-(oxolan-2-yl)propan-1-ol
CID 65162067
1-(2,3-difluoro-4-methylphenyl)-3-(oxan-2-yl)propan-1-ol
CID 107516246
1-(2,4-difluoro-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 79730679
3-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 65160613

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-methylphenyl)-3-(oxolan-2-yl)propan-1-ol?
The IUPAC name of 1-(2-bromo-3-methylphenyl)-3-(oxolan-2-yl)propan-1-ol (CID 107985732) is 1-(2-bromo-3-methylphenyl)-3-(oxolan-2-yl)propan-1-ol.
What is the SMILES notation for 1-(2-bromo-3-methylphenyl)-3-(oxolan-2-yl)propan-1-ol?
The canonical SMILES for 1-(2-bromo-3-methylphenyl)-3-(oxolan-2-yl)propan-1-ol is Cc1cccc(C(O)CCC2CCCO2)c1Br.
What is the InChIKey of 1-(2-bromo-3-methylphenyl)-3-(oxolan-2-yl)propan-1-ol?
The InChIKey is BUOMAJQNWKNGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO2/c1-10-4-2-6-12(14(10)15)13(16)8-7-11-5-3-9-17-11/h2,4,6,11,13,16H,3,5,7-9H2,1H3.
What are the key properties of 1-(2-bromo-3-methylphenyl)-3-(oxolan-2-yl)propan-1-ol?
1-(2-bromo-3-methylphenyl)-3-(oxolan-2-yl)propan-1-ol has a molecular weight of 299.21 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-methylphenyl)-3-(oxolan-2-yl)propan-1-ol is sourced from PubChem (CID 107985732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).