3-[(1R,2S)-2-[(4-bromophenyl)methoxy]cyclohexyl]furan

C17H19BrO2 — CID 59674832

IUPAC3-[(1R,2S)-2-[(4-bromophenyl)methoxy]cyclohexyl]furan
SMILESBrc1ccc(CO[C@H]2CCCC[C@@H]2c2ccoc2)cc1
InChIInChI=1S/C17H19BrO2/c18-15-7-5-13(6-8-15)11-20-17-4-2-1-3-16(17)14-9-10-19-12-14/h5-10,12,16-17H,1-4,11H2/t16-,17+/m1/s1
InChIKeyRTXCTRRWRQNJRB-SJORKVTESA-N
MW335.24 g/mol
LogP5.29
Rot. Bonds4

About 3-[(1R,2S)-2-[(4-bromophenyl)methoxy]cyclohexyl]furan

3-[(1R,2S)-2-[(4-bromophenyl)methoxy]cyclohexyl]furan (PubChem CID 59674832) has the molecular formula C17H19BrO2 and a molecular weight of 335.24 g/mol. Its IUPAC name is 3-[(1R,2S)-2-[(4-bromophenyl)methoxy]cyclohexyl]furan.

Molecular Properties

Compound Name3-[(1R,2S)-2-[(4-bromophenyl)methoxy]cyclohexyl]furan
PubChem CID59674832
Molecular FormulaC17H19BrO2
Molecular Weight335.24 g/mol
Exact Mass334.06
IUPAC Name3-[(1R,2S)-2-[(4-bromophenyl)methoxy]cyclohexyl]furan
SMILESBrc1ccc(CO[C@H]2CCCC[C@@H]2c2ccoc2)cc1
InChIInChI=1S/C17H19BrO2/c18-15-7-5-13(6-8-15)11-20-17-4-2-1-3-16(17)14-9-10-19-12-14/h5-10,12,16-17H,1-4,11H2/t16-,17+/m1/s1
InChIKeyRTXCTRRWRQNJRB-SJORKVTESA-N
XLogP5.29
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.24
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R,2S)-2-[(4-bromophenyl)methoxy]cyclohexyl]furan?
The IUPAC name of 3-[(1R,2S)-2-[(4-bromophenyl)methoxy]cyclohexyl]furan (CID 59674832) is 3-[(1R,2S)-2-[(4-bromophenyl)methoxy]cyclohexyl]furan.
What is the SMILES notation for 3-[(1R,2S)-2-[(4-bromophenyl)methoxy]cyclohexyl]furan?
The canonical SMILES for 3-[(1R,2S)-2-[(4-bromophenyl)methoxy]cyclohexyl]furan is Brc1ccc(CO[C@H]2CCCC[C@@H]2c2ccoc2)cc1.
What is the InChIKey of 3-[(1R,2S)-2-[(4-bromophenyl)methoxy]cyclohexyl]furan?
The InChIKey is RTXCTRRWRQNJRB-SJORKVTESA-N. The full InChI is InChI=1S/C17H19BrO2/c18-15-7-5-13(6-8-15)11-20-17-4-2-1-3-16(17)14-9-10-19-12-14/h5-10,12,16-17H,1-4,11H2/t16-,17+/m1/s1.
What are the key properties of 3-[(1R,2S)-2-[(4-bromophenyl)methoxy]cyclohexyl]furan?
3-[(1R,2S)-2-[(4-bromophenyl)methoxy]cyclohexyl]furan has a molecular weight of 335.24 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,2S)-2-[(4-bromophenyl)methoxy]cyclohexyl]furan is sourced from PubChem (CID 59674832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).