1-(3-bromo-5-chloro-2-methoxyphenyl)pentan-1-ol

C12H16BrClO2 — CID 61099300

IUPAC1-(3-bromo-5-chloro-2-methoxyphenyl)pentan-1-ol
SMILESCCCCC(O)c1cc(Cl)cc(Br)c1OC
InChIInChI=1S/C12H16BrClO2/c1-3-4-5-11(15)9-6-8(14)7-10(13)12(9)16-2/h6-7,11,15H,3-5H2,1-2H3
InChIKeyGTLLGNJJCQVBDU-UHFFFAOYSA-N
MW307.62 g/mol
LogP4.33
Rot. Bonds5

About 1-(3-bromo-5-chloro-2-methoxyphenyl)pentan-1-ol

1-(3-bromo-5-chloro-2-methoxyphenyl)pentan-1-ol (PubChem CID 61099300) has the molecular formula C12H16BrClO2 and a molecular weight of 307.62 g/mol. Its IUPAC name is 1-(3-bromo-5-chloro-2-methoxyphenyl)pentan-1-ol.

Molecular Properties

Compound Name1-(3-bromo-5-chloro-2-methoxyphenyl)pentan-1-ol
PubChem CID61099300
Molecular FormulaC12H16BrClO2
Molecular Weight307.62 g/mol
Exact Mass306.00
IUPAC Name1-(3-bromo-5-chloro-2-methoxyphenyl)pentan-1-ol
SMILESCCCCC(O)c1cc(Cl)cc(Br)c1OC
InChIInChI=1S/C12H16BrClO2/c1-3-4-5-11(15)9-6-8(14)7-10(13)12(9)16-2/h6-7,11,15H,3-5H2,1-2H3
InChIKeyGTLLGNJJCQVBDU-UHFFFAOYSA-N
XLogP4.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.62
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-3-(1-bromo-2-methylhexyl)-5-chloro-2-methoxybenzene
CID 114246885
1-(3-bromo-5-chloro-2-methoxyphenyl)decan-1-amine
CID 65447812
1-(3-bromo-5-chloro-2-methoxyphenyl)-2-methylpentan-1-ol
CID 61100674
1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)ethanol
CID 63427922
1-(3-bromo-5-chloro-2-methoxyphenyl)-2-cyclopentylethanol
CID 61100159
1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 63428538
1-(3-bromo-5-chloro-2-methoxyphenyl)-2,2-difluoroethanol
CID 104632696
(3-bromo-5-chloro-2-methoxyphenyl)-(4-chlorophenyl)methanol
CID 61099475
(3-bromo-5-chloro-2-methoxyphenyl)-cyclopentylmethanol
CID 61100157
(3-bromo-5-chloro-2-methoxyphenyl)-(2,4-dibromophenyl)methanol
CID 107955298
1-(3-bromo-5-chloro-2-methoxyphenyl)-2-phenylethanamine
CID 43197324
1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methylethanamine
CID 43480286

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chloro-2-methoxyphenyl)pentan-1-ol?
The IUPAC name of 1-(3-bromo-5-chloro-2-methoxyphenyl)pentan-1-ol (CID 61099300) is 1-(3-bromo-5-chloro-2-methoxyphenyl)pentan-1-ol.
What is the SMILES notation for 1-(3-bromo-5-chloro-2-methoxyphenyl)pentan-1-ol?
The canonical SMILES for 1-(3-bromo-5-chloro-2-methoxyphenyl)pentan-1-ol is CCCCC(O)c1cc(Cl)cc(Br)c1OC.
What is the InChIKey of 1-(3-bromo-5-chloro-2-methoxyphenyl)pentan-1-ol?
The InChIKey is GTLLGNJJCQVBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClO2/c1-3-4-5-11(15)9-6-8(14)7-10(13)12(9)16-2/h6-7,11,15H,3-5H2,1-2H3.
What are the key properties of 1-(3-bromo-5-chloro-2-methoxyphenyl)pentan-1-ol?
1-(3-bromo-5-chloro-2-methoxyphenyl)pentan-1-ol has a molecular weight of 307.62 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chloro-2-methoxyphenyl)pentan-1-ol is sourced from PubChem (CID 61099300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).