1-(3-bromophenyl)-4-ethylhexan-2-ol

C14H21BrO — CID 82919634

IUPAC1-(3-bromophenyl)-4-ethylhexan-2-ol
SMILESCCC(CC)CC(O)Cc1cccc(Br)c1
InChIInChI=1S/C14H21BrO/c1-3-11(4-2)9-14(16)10-12-6-5-7-13(15)8-12/h5-8,11,14,16H,3-4,9-10H2,1-2H3
InChIKeyQFOSPWUPUWOYHC-UHFFFAOYSA-N
MW285.22 g/mol
LogP4.18
Rot. Bonds6

About 1-(3-bromophenyl)-4-ethylhexan-2-ol

1-(3-bromophenyl)-4-ethylhexan-2-ol (PubChem CID 82919634) has the molecular formula C14H21BrO and a molecular weight of 285.22 g/mol. Its IUPAC name is 1-(3-bromophenyl)-4-ethylhexan-2-ol.

Molecular Properties

Compound Name1-(3-bromophenyl)-4-ethylhexan-2-ol
PubChem CID82919634
Molecular FormulaC14H21BrO
Molecular Weight285.22 g/mol
Exact Mass284.08
IUPAC Name1-(3-bromophenyl)-4-ethylhexan-2-ol
SMILESCCC(CC)CC(O)Cc1cccc(Br)c1
InChIInChI=1S/C14H21BrO/c1-3-11(4-2)9-14(16)10-12-6-5-7-13(15)8-12/h5-8,11,14,16H,3-4,9-10H2,1-2H3
InChIKeyQFOSPWUPUWOYHC-UHFFFAOYSA-N
XLogP4.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-bromophenyl)methyl]-4-ethylhexan-1-ol
CID 82934582
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1-(3-bromophenyl)-4,4-dimethylpentan-2-ol
CID 63015862
1-(3-bromophenyl)-4-methylidenehexan-2-ol
CID 66045073
1-(3-bromophenyl)octan-2-ol
CID 63411241
1-(3-bromophenyl)-4-ethoxybutan-2-ol
CID 62607821
5-(3-bromophenyl)-4-methylpentan-2-ol
CID 64719451
1-bromo-3-[2-[1-(3-bromophenyl)butan-2-yloxy]butyl]benzene
CID 67313726
1-(3-bromophenyl)butan-2-amine;hydrochloride
CID 170888459
2-[1-(3-bromophenyl)propan-2-ylamino]butan-1-ol
CID 115705338
1-(3-bromophenyl)-5-methylsulfanylpentan-2-ol
CID 103089773
2-amino-N-[2-[(3-bromophenyl)methyl]butyl]-2-methylpropanamide
CID 119330786

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-4-ethylhexan-2-ol?
The IUPAC name of 1-(3-bromophenyl)-4-ethylhexan-2-ol (CID 82919634) is 1-(3-bromophenyl)-4-ethylhexan-2-ol.
What is the SMILES notation for 1-(3-bromophenyl)-4-ethylhexan-2-ol?
The canonical SMILES for 1-(3-bromophenyl)-4-ethylhexan-2-ol is CCC(CC)CC(O)Cc1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-4-ethylhexan-2-ol?
The InChIKey is QFOSPWUPUWOYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrO/c1-3-11(4-2)9-14(16)10-12-6-5-7-13(15)8-12/h5-8,11,14,16H,3-4,9-10H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-4-ethylhexan-2-ol?
1-(3-bromophenyl)-4-ethylhexan-2-ol has a molecular weight of 285.22 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-4-ethylhexan-2-ol is sourced from PubChem (CID 82919634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).