(2,5-dibromo-4-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol

C17H24Br2O — CID 81473141

IUPAC(2,5-dibromo-4-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol
SMILESCc1cc(Br)c(C(O)C2(CC(C)C)CCCC2)cc1Br
InChIInChI=1S/C17H24Br2O/c1-11(2)10-17(6-4-5-7-17)16(20)13-9-14(18)12(3)8-15(13)19/h8-9,11,16,20H,4-7,10H2,1-3H3
InChIKeyIULGJRSHRLLXOP-UHFFFAOYSA-N
MW404.19 g/mol
LogP6.16
Rot. Bonds4

About (2,5-dibromo-4-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol

(2,5-dibromo-4-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol (PubChem CID 81473141) has the molecular formula C17H24Br2O and a molecular weight of 404.19 g/mol. Its IUPAC name is (2,5-dibromo-4-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol.

Molecular Properties

Compound Name(2,5-dibromo-4-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol
PubChem CID81473141
Molecular FormulaC17H24Br2O
Molecular Weight404.19 g/mol
Exact Mass402.02
IUPAC Name(2,5-dibromo-4-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol
SMILESCc1cc(Br)c(C(O)C2(CC(C)C)CCCC2)cc1Br
InChIInChI=1S/C17H24Br2O/c1-11(2)10-17(6-4-5-7-17)16(20)13-9-14(18)12(3)8-15(13)19/h8-9,11,16,20H,4-7,10H2,1-3H3
InChIKeyIULGJRSHRLLXOP-UHFFFAOYSA-N
XLogP6.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.19
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-bromo-4-fluoro-2-methoxyphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol
CID 103396133
(2-chloro-4-fluoro-5-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol
CID 81045388
1-(2,5-dibromo-4-methylphenyl)-3,3,3-trifluoropropan-1-ol
CID 81473324
1-(2,5-dibromo-4-methylphenyl)-3-methylpentan-1-ol
CID 114875970
(1R,2S)-1-amino-1-(4-bromo-2,5-dimethylphenyl)propan-2-ol
CID 130730181
1,4-dibromo-2-(1-bromo-2-methylpropyl)-5-methylbenzene
CID 81474215
1-[bromo-[1-(2-methylpropyl)cyclopentyl]methyl]-2,4,5-trifluorobenzene
CID 103304190
2-(2,5-dibromo-4-methylphenyl)-2-hydroxyacetic acid
CID 171003131
(2,5-dibromo-4-methylphenyl)-(4-methylthiophen-3-yl)methanol
CID 81474094
1-(2,5-dibromo-4-methylphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
CID 103556467
2-(3-bromo-4-methoxyphenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
CID 115817865
1-(2,5-dibromo-4-methylphenyl)-N-ethyl-3-methylbutan-1-amine
CID 81472790

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromo-4-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol?
The IUPAC name of (2,5-dibromo-4-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol (CID 81473141) is (2,5-dibromo-4-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol.
What is the SMILES notation for (2,5-dibromo-4-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol?
The canonical SMILES for (2,5-dibromo-4-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol is Cc1cc(Br)c(C(O)C2(CC(C)C)CCCC2)cc1Br.
What is the InChIKey of (2,5-dibromo-4-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol?
The InChIKey is IULGJRSHRLLXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Br2O/c1-11(2)10-17(6-4-5-7-17)16(20)13-9-14(18)12(3)8-15(13)19/h8-9,11,16,20H,4-7,10H2,1-3H3.
What are the key properties of (2,5-dibromo-4-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol?
(2,5-dibromo-4-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol has a molecular weight of 404.19 g/mol, XLogP of 6.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromo-4-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol is sourced from PubChem (CID 81473141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).