1-(5-bromo-2-methylphenyl)decan-1-ol

C17H27BrO — CID 115782829

IUPAC1-(5-bromo-2-methylphenyl)decan-1-ol
SMILESCCCCCCCCCC(O)c1cc(Br)ccc1C
InChIInChI=1S/C17H27BrO/c1-3-4-5-6-7-8-9-10-17(19)16-13-15(18)12-11-14(16)2/h11-13,17,19H,3-10H2,1-2H3
InChIKeyHNXGAZCNZJXUCC-UHFFFAOYSA-N
MW327.31 g/mol
LogP5.93
Rot. Bonds9

About 1-(5-bromo-2-methylphenyl)decan-1-ol

1-(5-bromo-2-methylphenyl)decan-1-ol (PubChem CID 115782829) has the molecular formula C17H27BrO and a molecular weight of 327.31 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)decan-1-ol.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)decan-1-ol
PubChem CID115782829
Molecular FormulaC17H27BrO
Molecular Weight327.31 g/mol
Exact Mass326.12
IUPAC Name1-(5-bromo-2-methylphenyl)decan-1-ol
SMILESCCCCCCCCCC(O)c1cc(Br)ccc1C
InChIInChI=1S/C17H27BrO/c1-3-4-5-6-7-8-9-10-17(19)16-13-15(18)12-11-14(16)2/h11-13,17,19H,3-10H2,1-2H3
InChIKeyHNXGAZCNZJXUCC-UHFFFAOYSA-N
XLogP5.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.31
LogP ≤ 55.93
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-(2-amino-5-bromophenyl)undecan-1-ol
CID 82703415
(1R)-1-(5-bromo-2-methylphenyl)hexan-1-amine;hydrochloride
CID 171203851
1-(5-chloro-2-methylphenyl)decan-1-ol
CID 115783029
1-(2-amino-5-bromophenyl)hexan-1-ol
CID 82703402
1-(5-bromo-2-methylphenyl)-N-methylheptan-1-amine
CID 115833849
1-(5-bromo-2-methylphenyl)-5,5,5-trifluoropentan-1-ol
CID 115828321
1-(4-bromo-2-fluorophenyl)hexan-1-ol
CID 65148094
1-(5-bromo-2-methylphenyl)-3-ethylpentan-1-ol
CID 115829693
1-(5-bromo-2-methylthiophen-3-yl)heptan-1-ol
CID 114753433
1-(3-bromo-4-methylphenyl)octan-1-ol
CID 115783206
(1S)-1-(4-bromophenyl)octan-1-ol
CID 124554353

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)decan-1-ol?
The IUPAC name of 1-(5-bromo-2-methylphenyl)decan-1-ol (CID 115782829) is 1-(5-bromo-2-methylphenyl)decan-1-ol.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)decan-1-ol?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)decan-1-ol is CCCCCCCCCC(O)c1cc(Br)ccc1C.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)decan-1-ol?
The InChIKey is HNXGAZCNZJXUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrO/c1-3-4-5-6-7-8-9-10-17(19)16-13-15(18)12-11-14(16)2/h11-13,17,19H,3-10H2,1-2H3.
What are the key properties of 1-(5-bromo-2-methylphenyl)decan-1-ol?
1-(5-bromo-2-methylphenyl)decan-1-ol has a molecular weight of 327.31 g/mol, XLogP of 5.93, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)decan-1-ol is sourced from PubChem (CID 115782829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).