(5-bromo-4-fluoro-2-methoxyphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol

C17H24BrFO2 — CID 103396133

IUPAC(5-bromo-4-fluoro-2-methoxyphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol
SMILESCOc1cc(F)c(Br)cc1C(O)C1(CC(C)C)CCCC1
InChIInChI=1S/C17H24BrFO2/c1-11(2)10-17(6-4-5-7-17)16(20)12-8-13(18)14(19)9-15(12)21-3/h8-9,11,16,20H,4-7,10H2,1-3H3
InChIKeyFSOQYROPKNOGES-UHFFFAOYSA-N
MW359.28 g/mol
LogP5.24
Rot. Bonds5

About (5-bromo-4-fluoro-2-methoxyphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol

(5-bromo-4-fluoro-2-methoxyphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol (PubChem CID 103396133) has the molecular formula C17H24BrFO2 and a molecular weight of 359.28 g/mol. Its IUPAC name is (5-bromo-4-fluoro-2-methoxyphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol.

Molecular Properties

Compound Name(5-bromo-4-fluoro-2-methoxyphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol
PubChem CID103396133
Molecular FormulaC17H24BrFO2
Molecular Weight359.28 g/mol
Exact Mass358.09
IUPAC Name(5-bromo-4-fluoro-2-methoxyphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol
SMILESCOc1cc(F)c(Br)cc1C(O)C1(CC(C)C)CCCC1
InChIInChI=1S/C17H24BrFO2/c1-11(2)10-17(6-4-5-7-17)16(20)12-8-13(18)14(19)9-15(12)21-3/h8-9,11,16,20H,4-7,10H2,1-3H3
InChIKeyFSOQYROPKNOGES-UHFFFAOYSA-N
XLogP5.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.28
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-5-[bromo-(1-ethylcyclopentyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396453
(2,5-dibromo-4-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol
CID 81473141
1-bromo-5-[1-chloro-2-(1-methoxycyclobutyl)ethyl]-2-fluoro-4-methoxybenzene
CID 103557900
(2-chloro-4-fluoro-5-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol
CID 81045388
N-[(5-bromo-4-fluoro-2-methoxyphenyl)-(1-methylcyclopentyl)methyl]ethanamine
CID 103394756
1-bromo-5-(1-chloro-3,4,4-trimethylpentyl)-2-fluoro-4-methoxybenzene
CID 103396310
(5-bromo-4-fluoro-2-methoxyphenyl)-(4-fluorophenyl)methanol
CID 103396069
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-bromophenyl)ethanol
CID 103395965
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-ethoxyphenyl)methanol
CID 103396097
1-bromo-5-[bromo-(1-phenylcyclopropyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396581
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(oxolan-2-yl)ethanol
CID 103396051
(5-bromo-4-fluoro-2-methoxyphenyl)-(2,6-difluorophenyl)methanol
CID 103396120

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-fluoro-2-methoxyphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol?
The IUPAC name of (5-bromo-4-fluoro-2-methoxyphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol (CID 103396133) is (5-bromo-4-fluoro-2-methoxyphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol.
What is the SMILES notation for (5-bromo-4-fluoro-2-methoxyphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol?
The canonical SMILES for (5-bromo-4-fluoro-2-methoxyphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol is COc1cc(F)c(Br)cc1C(O)C1(CC(C)C)CCCC1.
What is the InChIKey of (5-bromo-4-fluoro-2-methoxyphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol?
The InChIKey is FSOQYROPKNOGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrFO2/c1-11(2)10-17(6-4-5-7-17)16(20)12-8-13(18)14(19)9-15(12)21-3/h8-9,11,16,20H,4-7,10H2,1-3H3.
What are the key properties of (5-bromo-4-fluoro-2-methoxyphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol?
(5-bromo-4-fluoro-2-methoxyphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol has a molecular weight of 359.28 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-fluoro-2-methoxyphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol is sourced from PubChem (CID 103396133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).