4-[(3-bromophenyl)methyl]-1-ethylazepan-4-ol

C15H22BrNO — CID 65077307

IUPAC4-[(3-bromophenyl)methyl]-1-ethylazepan-4-ol
SMILESCCN1CCCC(O)(Cc2cccc(Br)c2)CC1
InChIInChI=1S/C15H22BrNO/c1-2-17-9-4-7-15(18,8-10-17)12-13-5-3-6-14(16)11-13/h3,5-6,11,18H,2,4,7-10,12H2,1H3
InChIKeyUUQMBRYFMPBGBQ-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.23
Rot. Bonds3

About 4-[(3-bromophenyl)methyl]-1-ethylazepan-4-ol

4-[(3-bromophenyl)methyl]-1-ethylazepan-4-ol (PubChem CID 65077307) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 4-[(3-bromophenyl)methyl]-1-ethylazepan-4-ol.

Molecular Properties

Compound Name4-[(3-bromophenyl)methyl]-1-ethylazepan-4-ol
PubChem CID65077307
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name4-[(3-bromophenyl)methyl]-1-ethylazepan-4-ol
SMILESCCN1CCCC(O)(Cc2cccc(Br)c2)CC1
InChIInChI=1S/C15H22BrNO/c1-2-17-9-4-7-15(18,8-10-17)12-13-5-3-6-14(16)11-13/h3,5-6,11,18H,2,4,7-10,12H2,1H3
InChIKeyUUQMBRYFMPBGBQ-UHFFFAOYSA-N
XLogP3.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-bromophenyl)methyl]-1-propylazepan-4-ol
CID 65078059
1-[(3-bromophenyl)methyl]cycloheptan-1-ol
CID 60797544
4-[(2-bromophenyl)methyl]-1-ethylazepan-4-ol
CID 65077702
4-[(4-bromothiophen-2-yl)methyl]-1-ethylazepan-4-ol
CID 65153881
4-[(3-chlorophenyl)methyl]-1-propylazepan-4-ol
CID 65077956
1-[(3-bromophenyl)methyl]-4-tert-butylcycloheptan-1-ol
CID 65094519
1-ethyl-4-[(2-methoxyphenyl)methyl]azepan-4-ol
CID 65077660
4-[(5-chlorothiophen-2-yl)methyl]-1-ethylazepan-4-ol
CID 65153829
3-[(3-bromophenyl)methyl]oxetan-3-ol
CID 164643776
4-(2,3-dihydro-1H-inden-5-ylmethyl)-1-propylazepan-4-ol
CID 65077468
4-[(4-chloro-2-fluorophenyl)methyl]-1-ethylazepan-4-ol
CID 114852276
1-ethyl-4-[(1-methylpyrazol-3-yl)methyl]azepan-4-ol
CID 82869205

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromophenyl)methyl]-1-ethylazepan-4-ol?
The IUPAC name of 4-[(3-bromophenyl)methyl]-1-ethylazepan-4-ol (CID 65077307) is 4-[(3-bromophenyl)methyl]-1-ethylazepan-4-ol.
What is the SMILES notation for 4-[(3-bromophenyl)methyl]-1-ethylazepan-4-ol?
The canonical SMILES for 4-[(3-bromophenyl)methyl]-1-ethylazepan-4-ol is CCN1CCCC(O)(Cc2cccc(Br)c2)CC1.
What is the InChIKey of 4-[(3-bromophenyl)methyl]-1-ethylazepan-4-ol?
The InChIKey is UUQMBRYFMPBGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-2-17-9-4-7-15(18,8-10-17)12-13-5-3-6-14(16)11-13/h3,5-6,11,18H,2,4,7-10,12H2,1H3.
What are the key properties of 4-[(3-bromophenyl)methyl]-1-ethylazepan-4-ol?
4-[(3-bromophenyl)methyl]-1-ethylazepan-4-ol has a molecular weight of 312.25 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromophenyl)methyl]-1-ethylazepan-4-ol is sourced from PubChem (CID 65077307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).