1-bromo-3-(1-methoxycyclopentyl)benzene

C12H15BrO — CID 115047484

IUPAC1-bromo-3-(1-methoxycyclopentyl)benzene
SMILESCOC1(c2cccc(Br)c2)CCCC1
InChIInChI=1S/C12H15BrO/c1-14-12(7-2-3-8-12)10-5-4-6-11(13)9-10/h4-6,9H,2-3,7-8H2,1H3
InChIKeySFDQHYNAKXBPML-UHFFFAOYSA-N
MW255.15 g/mol
LogP3.86
Rot. Bonds2

About 1-bromo-3-(1-methoxycyclopentyl)benzene

1-bromo-3-(1-methoxycyclopentyl)benzene (PubChem CID 115047484) has the molecular formula C12H15BrO and a molecular weight of 255.15 g/mol. Its IUPAC name is 1-bromo-3-(1-methoxycyclopentyl)benzene.

Molecular Properties

Compound Name1-bromo-3-(1-methoxycyclopentyl)benzene
PubChem CID115047484
Molecular FormulaC12H15BrO
Molecular Weight255.15 g/mol
Exact Mass254.03
IUPAC Name1-bromo-3-(1-methoxycyclopentyl)benzene
SMILESCOC1(c2cccc(Br)c2)CCCC1
InChIInChI=1S/C12H15BrO/c1-14-12(7-2-3-8-12)10-5-4-6-11(13)9-10/h4-6,9H,2-3,7-8H2,1H3
InChIKeySFDQHYNAKXBPML-UHFFFAOYSA-N
XLogP3.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1-methoxycyclopentyl)benzoic acid
CID 115031955
2-fluoro-4-(1-methoxycyclopentyl)-1-methylbenzene
CID 161365131
3-(1-methoxycyclobutyl)benzoic acid
CID 67062832
methyl 1-(3-bromophenyl)cyclobutane-1-carboxylate
CID 75487937
1-bromo-3-[1-(1-methoxyethyl)cyclopropyl]benzene
CID 115047487
O-[[1-(3-bromophenyl)cyclopentyl]methyl]hydroxylamine
CID 83693924
4-[3-(6-bromonaphthalen-2-yl)sulfanylphenyl]-4-methoxyoxane
CID 19764786
1-(3-bromophenyl)cyclopropan-1-amine
CID 11127564
1-[1-(3-bromophenyl)cycloheptyl]-N-methylmethanamine
CID 63512242
2-(3-bromophenyl)-2-(methoxymethyl)pyrrolidine
CID 117271922
1-bromo-3-[1-(methoxymethoxymethyl)cyclopropyl]benzene
CID 169228109
1-(3-bromophenyl)-N-methylcyclopropan-1-amine;hydrochloride
CID 175203393

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(1-methoxycyclopentyl)benzene?
The IUPAC name of 1-bromo-3-(1-methoxycyclopentyl)benzene (CID 115047484) is 1-bromo-3-(1-methoxycyclopentyl)benzene.
What is the SMILES notation for 1-bromo-3-(1-methoxycyclopentyl)benzene?
The canonical SMILES for 1-bromo-3-(1-methoxycyclopentyl)benzene is COC1(c2cccc(Br)c2)CCCC1.
What is the InChIKey of 1-bromo-3-(1-methoxycyclopentyl)benzene?
The InChIKey is SFDQHYNAKXBPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO/c1-14-12(7-2-3-8-12)10-5-4-6-11(13)9-10/h4-6,9H,2-3,7-8H2,1H3.
What are the key properties of 1-bromo-3-(1-methoxycyclopentyl)benzene?
1-bromo-3-(1-methoxycyclopentyl)benzene has a molecular weight of 255.15 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(1-methoxycyclopentyl)benzene is sourced from PubChem (CID 115047484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).