1-[5-(4-chlorophenyl)furan-2-yl]-2-cyclohexylethanol

C18H21ClO2 — CID 59949590

IUPAC1-[5-(4-chlorophenyl)furan-2-yl]-2-cyclohexylethanol
SMILESOC(CC1CCCCC1)c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C18H21ClO2/c19-15-8-6-14(7-9-15)17-10-11-18(21-17)16(20)12-13-4-2-1-3-5-13/h6-11,13,16,20H,1-5,12H2
InChIKeyWLOXRIUYQXVBTK-UHFFFAOYSA-N
MW304.82 g/mol
LogP5.60
Rot. Bonds4

About 1-[5-(4-chlorophenyl)furan-2-yl]-2-cyclohexylethanol

1-[5-(4-chlorophenyl)furan-2-yl]-2-cyclohexylethanol (PubChem CID 59949590) has the molecular formula C18H21ClO2 and a molecular weight of 304.82 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)furan-2-yl]-2-cyclohexylethanol.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)furan-2-yl]-2-cyclohexylethanol
PubChem CID59949590
Molecular FormulaC18H21ClO2
Molecular Weight304.82 g/mol
Exact Mass304.12
IUPAC Name1-[5-(4-chlorophenyl)furan-2-yl]-2-cyclohexylethanol
SMILESOC(CC1CCCCC1)c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C18H21ClO2/c19-15-8-6-14(7-9-15)17-10-11-18(21-17)16(20)12-13-4-2-1-3-5-13/h6-11,13,16,20H,1-5,12H2
InChIKeyWLOXRIUYQXVBTK-UHFFFAOYSA-N
XLogP5.60
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.82
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenyl)furan-2-yl]-2-cyclohexylethanol?
The IUPAC name of 1-[5-(4-chlorophenyl)furan-2-yl]-2-cyclohexylethanol (CID 59949590) is 1-[5-(4-chlorophenyl)furan-2-yl]-2-cyclohexylethanol.
What is the SMILES notation for 1-[5-(4-chlorophenyl)furan-2-yl]-2-cyclohexylethanol?
The canonical SMILES for 1-[5-(4-chlorophenyl)furan-2-yl]-2-cyclohexylethanol is OC(CC1CCCCC1)c1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 1-[5-(4-chlorophenyl)furan-2-yl]-2-cyclohexylethanol?
The InChIKey is WLOXRIUYQXVBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClO2/c19-15-8-6-14(7-9-15)17-10-11-18(21-17)16(20)12-13-4-2-1-3-5-13/h6-11,13,16,20H,1-5,12H2.
What are the key properties of 1-[5-(4-chlorophenyl)furan-2-yl]-2-cyclohexylethanol?
1-[5-(4-chlorophenyl)furan-2-yl]-2-cyclohexylethanol has a molecular weight of 304.82 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chlorophenyl)furan-2-yl]-2-cyclohexylethanol is sourced from PubChem (CID 59949590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).