3-(3-bromophenyl)-5-ethylheptan-3-ol

C15H23BrO — CID 114079223

IUPAC3-(3-bromophenyl)-5-ethylheptan-3-ol
SMILESCCC(CC)CC(O)(CC)c1cccc(Br)c1
InChIInChI=1S/C15H23BrO/c1-4-12(5-2)11-15(17,6-3)13-8-7-9-14(16)10-13/h7-10,12,17H,4-6,11H2,1-3H3
InChIKeyUGFZCSFDRSVLAK-UHFFFAOYSA-N
MW299.25 g/mol
LogP4.87
Rot. Bonds6

About 3-(3-bromophenyl)-5-ethylheptan-3-ol

3-(3-bromophenyl)-5-ethylheptan-3-ol (PubChem CID 114079223) has the molecular formula C15H23BrO and a molecular weight of 299.25 g/mol. Its IUPAC name is 3-(3-bromophenyl)-5-ethylheptan-3-ol.

Molecular Properties

Compound Name3-(3-bromophenyl)-5-ethylheptan-3-ol
PubChem CID114079223
Molecular FormulaC15H23BrO
Molecular Weight299.25 g/mol
Exact Mass298.09
IUPAC Name3-(3-bromophenyl)-5-ethylheptan-3-ol
SMILESCCC(CC)CC(O)(CC)c1cccc(Br)c1
InChIInChI=1S/C15H23BrO/c1-4-12(5-2)11-15(17,6-3)13-8-7-9-14(16)10-13/h7-10,12,17H,4-6,11H2,1-3H3
InChIKeyUGFZCSFDRSVLAK-UHFFFAOYSA-N
XLogP4.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-bromophenyl)pentan-3-ol
CID 57443482
(3S)-3-(3-bromophenyl)pentadecan-3-ol
CID 98160456
2-(3-bromophenyl)propan-2-ol;ethanol
CID 144557078
1-amino-1-(3-bromophenyl)propan-1-ol
CID 141222959
3-[3-(3-hydroxypentan-3-yl)phenyl]pentan-3-ol
CID 44630004
2-(3-bromophenyl)-1-thiophen-3-ylbutan-2-ol
CID 114079207
3-(aminomethyl)-2-(3-bromophenyl)pentan-2-ol
CID 79127279
3-(3-fluorophenyl)-5-methylheptan-3-ol
CID 114872328
2-(3-bromophenyl)-1-(1-methyltriazol-4-yl)butan-2-ol
CID 114079226
1-bromo-3-(2-chlorobutan-2-yl)benzene
CID 171061964
3-(3-bromophenyl)-2-ethyl-3-hydroxy-2-methylbutanenitrile
CID 79130291
2-(3-bromophenyl)-1-(ethylamino)propan-2-ol
CID 62773970

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-5-ethylheptan-3-ol?
The IUPAC name of 3-(3-bromophenyl)-5-ethylheptan-3-ol (CID 114079223) is 3-(3-bromophenyl)-5-ethylheptan-3-ol.
What is the SMILES notation for 3-(3-bromophenyl)-5-ethylheptan-3-ol?
The canonical SMILES for 3-(3-bromophenyl)-5-ethylheptan-3-ol is CCC(CC)CC(O)(CC)c1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenyl)-5-ethylheptan-3-ol?
The InChIKey is UGFZCSFDRSVLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrO/c1-4-12(5-2)11-15(17,6-3)13-8-7-9-14(16)10-13/h7-10,12,17H,4-6,11H2,1-3H3.
What are the key properties of 3-(3-bromophenyl)-5-ethylheptan-3-ol?
3-(3-bromophenyl)-5-ethylheptan-3-ol has a molecular weight of 299.25 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-5-ethylheptan-3-ol is sourced from PubChem (CID 114079223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).