1-(7-bromonaphthalen-1-yl)hexan-1-ol

C16H19BrO — CID 102243585

IUPAC1-(7-bromonaphthalen-1-yl)hexan-1-ol
SMILESCCCCCC(O)c1cccc2ccc(Br)cc12
InChIInChI=1S/C16H19BrO/c1-2-3-4-8-16(18)14-7-5-6-12-9-10-13(17)11-15(12)14/h5-7,9-11,16,18H,2-4,8H2,1H3
InChIKeyNLCSMJUVQLXGGL-UHFFFAOYSA-N
MW307.23 g/mol
LogP5.22
Rot. Bonds5

About 1-(7-bromonaphthalen-1-yl)hexan-1-ol

1-(7-bromonaphthalen-1-yl)hexan-1-ol (PubChem CID 102243585) has the molecular formula C16H19BrO and a molecular weight of 307.23 g/mol. Its IUPAC name is 1-(7-bromonaphthalen-1-yl)hexan-1-ol.

Molecular Properties

Compound Name1-(7-bromonaphthalen-1-yl)hexan-1-ol
PubChem CID102243585
Molecular FormulaC16H19BrO
Molecular Weight307.23 g/mol
Exact Mass306.06
IUPAC Name1-(7-bromonaphthalen-1-yl)hexan-1-ol
SMILESCCCCCC(O)c1cccc2ccc(Br)cc12
InChIInChI=1S/C16H19BrO/c1-2-3-4-8-16(18)14-7-5-6-12-9-10-13(17)11-15(12)14/h5-7,9-11,16,18H,2-4,8H2,1H3
InChIKeyNLCSMJUVQLXGGL-UHFFFAOYSA-N
XLogP5.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.23
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromo-2-methylphenyl)octan-1-ol
CID 115783049
1-(5-bromo-2-methylphenyl)decan-1-ol
CID 115782829
1-(4-bromo-2-fluorophenyl)hexan-1-ol
CID 65148094
1-(2-amino-5-bromophenyl)hexan-1-ol
CID 82703402
1-(2-amino-5-bromophenyl)undecan-1-ol
CID 82703415
1-(2-methylquinolin-8-yl)hexan-1-ol
CID 102243588
1-(2-chlorophenyl)hexan-1-ol
CID 62606389
1-isoquinolin-8-ylpentan-1-ol
CID 103138987
(1R)-1-(2,3-dimethoxyphenyl)octan-1-ol
CID 124562849
(1R)-1-(4-bromophenyl)hexan-1-ol
CID 57438971
1-(3,6-dibromophenanthren-9-yl)-2-(dihexylamino)ethanol
CID 90668926
1-(2-chloro-3-fluorophenyl)hexan-1-ol
CID 115784419

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromonaphthalen-1-yl)hexan-1-ol?
The IUPAC name of 1-(7-bromonaphthalen-1-yl)hexan-1-ol (CID 102243585) is 1-(7-bromonaphthalen-1-yl)hexan-1-ol.
What is the SMILES notation for 1-(7-bromonaphthalen-1-yl)hexan-1-ol?
The canonical SMILES for 1-(7-bromonaphthalen-1-yl)hexan-1-ol is CCCCCC(O)c1cccc2ccc(Br)cc12.
What is the InChIKey of 1-(7-bromonaphthalen-1-yl)hexan-1-ol?
The InChIKey is NLCSMJUVQLXGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrO/c1-2-3-4-8-16(18)14-7-5-6-12-9-10-13(17)11-15(12)14/h5-7,9-11,16,18H,2-4,8H2,1H3.
What are the key properties of 1-(7-bromonaphthalen-1-yl)hexan-1-ol?
1-(7-bromonaphthalen-1-yl)hexan-1-ol has a molecular weight of 307.23 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromonaphthalen-1-yl)hexan-1-ol is sourced from PubChem (CID 102243585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).