1-[(3-bromofuran-2-yl)-hydroxymethyl]cycloheptan-1-ol

C12H17BrO3 — CID 103452084

IUPAC1-[(3-bromofuran-2-yl)-hydroxymethyl]cycloheptan-1-ol
SMILESOC(c1occc1Br)C1(O)CCCCCC1
InChIInChI=1S/C12H17BrO3/c13-9-5-8-16-10(9)11(14)12(15)6-3-1-2-4-7-12/h5,8,11,14-15H,1-4,6-7H2
InChIKeyBZFRLQCPWPWYJV-UHFFFAOYSA-N
MW289.17 g/mol
LogP3.16
Rot. Bonds2

About 1-[(3-bromofuran-2-yl)-hydroxymethyl]cycloheptan-1-ol

1-[(3-bromofuran-2-yl)-hydroxymethyl]cycloheptan-1-ol (PubChem CID 103452084) has the molecular formula C12H17BrO3 and a molecular weight of 289.17 g/mol. Its IUPAC name is 1-[(3-bromofuran-2-yl)-hydroxymethyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[(3-bromofuran-2-yl)-hydroxymethyl]cycloheptan-1-ol
PubChem CID103452084
Molecular FormulaC12H17BrO3
Molecular Weight289.17 g/mol
Exact Mass288.04
IUPAC Name1-[(3-bromofuran-2-yl)-hydroxymethyl]cycloheptan-1-ol
SMILESOC(c1occc1Br)C1(O)CCCCCC1
InChIInChI=1S/C12H17BrO3/c13-9-5-8-16-10(9)11(14)12(15)6-3-1-2-4-7-12/h5,8,11,14-15H,1-4,6-7H2
InChIKeyBZFRLQCPWPWYJV-UHFFFAOYSA-N
XLogP3.16
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-bromofuran-2-yl)-hydroxymethyl]cyclohexan-1-ol
CID 103451748
[1-(aminomethyl)cyclohexyl]-(3-bromofuran-2-yl)methanol
CID 106889639
[1-(aminomethyl)cyclopropyl]-(3-bromofuran-2-yl)methanol
CID 130513437
(3-bromofuran-2-yl)-(1-methylsulfanylcyclobutyl)methanol
CID 130506442
1-[amino-(3-bromofuran-2-yl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066055
(3-bromofuran-2-yl)-(4-methoxyoxan-4-yl)methanol
CID 116754061
[1-(aminomethyl)-3-ethylcyclohexyl]-(3-bromofuran-2-yl)methanol
CID 106889658
(3-bromofuran-2-yl)-(1-ethylcyclopentyl)methanamine
CID 115861563
1-(3-bromofuran-2-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine
CID 106830126
1-[(3-bromofuran-2-yl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79070216
(3-bromofuran-2-yl)-(1-methylcyclopentyl)methanamine
CID 115861247
1-[(3-bromothiophen-2-yl)-hydroxymethyl]cycloheptan-1-ol
CID 103451994

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromofuran-2-yl)-hydroxymethyl]cycloheptan-1-ol?
The IUPAC name of 1-[(3-bromofuran-2-yl)-hydroxymethyl]cycloheptan-1-ol (CID 103452084) is 1-[(3-bromofuran-2-yl)-hydroxymethyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[(3-bromofuran-2-yl)-hydroxymethyl]cycloheptan-1-ol?
The canonical SMILES for 1-[(3-bromofuran-2-yl)-hydroxymethyl]cycloheptan-1-ol is OC(c1occc1Br)C1(O)CCCCCC1.
What is the InChIKey of 1-[(3-bromofuran-2-yl)-hydroxymethyl]cycloheptan-1-ol?
The InChIKey is BZFRLQCPWPWYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO3/c13-9-5-8-16-10(9)11(14)12(15)6-3-1-2-4-7-12/h5,8,11,14-15H,1-4,6-7H2.
What are the key properties of 1-[(3-bromofuran-2-yl)-hydroxymethyl]cycloheptan-1-ol?
1-[(3-bromofuran-2-yl)-hydroxymethyl]cycloheptan-1-ol has a molecular weight of 289.17 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromofuran-2-yl)-hydroxymethyl]cycloheptan-1-ol is sourced from PubChem (CID 103452084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).