2-(4-chlorophenyl)-1-(5-ethylfuran-2-yl)ethanol

C14H15ClO2 — CID 63895693

IUPAC2-(4-chlorophenyl)-1-(5-ethylfuran-2-yl)ethanol
SMILESCCc1ccc(C(O)Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C14H15ClO2/c1-2-12-7-8-14(17-12)13(16)9-10-3-5-11(15)6-4-10/h3-8,13,16H,2,9H2,1H3
InChIKeyVRDKQXBZRQONMN-UHFFFAOYSA-N
MW250.72 g/mol
LogP3.77
Rot. Bonds4

About 2-(4-chlorophenyl)-1-(5-ethylfuran-2-yl)ethanol

2-(4-chlorophenyl)-1-(5-ethylfuran-2-yl)ethanol (PubChem CID 63895693) has the molecular formula C14H15ClO2 and a molecular weight of 250.72 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(5-ethylfuran-2-yl)ethanol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(5-ethylfuran-2-yl)ethanol
PubChem CID63895693
Molecular FormulaC14H15ClO2
Molecular Weight250.72 g/mol
Exact Mass250.08
IUPAC Name2-(4-chlorophenyl)-1-(5-ethylfuran-2-yl)ethanol
SMILESCCc1ccc(C(O)Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C14H15ClO2/c1-2-12-7-8-14(17-12)13(16)9-10-3-5-11(15)6-4-10/h3-8,13,16H,2,9H2,1H3
InChIKeyVRDKQXBZRQONMN-UHFFFAOYSA-N
XLogP3.77
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.72
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(5-ethylfuran-2-yl)undecan-1-ol
CID 65150077
2-[2-(4-bromophenyl)-1-chloroethyl]-5-ethylfuran
CID 79084046
N-[(4-chlorophenyl)-(5-ethylfuran-2-yl)methyl]ethanamine
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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(5-ethylfuran-2-yl)ethanol?
The IUPAC name of 2-(4-chlorophenyl)-1-(5-ethylfuran-2-yl)ethanol (CID 63895693) is 2-(4-chlorophenyl)-1-(5-ethylfuran-2-yl)ethanol.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(5-ethylfuran-2-yl)ethanol?
The canonical SMILES for 2-(4-chlorophenyl)-1-(5-ethylfuran-2-yl)ethanol is CCc1ccc(C(O)Cc2ccc(Cl)cc2)o1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(5-ethylfuran-2-yl)ethanol?
The InChIKey is VRDKQXBZRQONMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClO2/c1-2-12-7-8-14(17-12)13(16)9-10-3-5-11(15)6-4-10/h3-8,13,16H,2,9H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-(5-ethylfuran-2-yl)ethanol?
2-(4-chlorophenyl)-1-(5-ethylfuran-2-yl)ethanol has a molecular weight of 250.72 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(5-ethylfuran-2-yl)ethanol is sourced from PubChem (CID 63895693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).