3-chloro-1-(5-methyl-1-benzofuran-2-yl)-1-phenylpropan-1-ol

C18H17ClO2 — CID 114724921

IUPAC3-chloro-1-(5-methyl-1-benzofuran-2-yl)-1-phenylpropan-1-ol
SMILESCc1ccc2oc(C(O)(CCCl)c3ccccc3)cc2c1
InChIInChI=1S/C18H17ClO2/c1-13-7-8-16-14(11-13)12-17(21-16)18(20,9-10-19)15-5-3-2-4-6-15/h2-8,11-12,20H,9-10H2,1H3
InChIKeyWKGYXUDBGMJSBH-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.61
Rot. Bonds4

About 3-chloro-1-(5-methyl-1-benzofuran-2-yl)-1-phenylpropan-1-ol

3-chloro-1-(5-methyl-1-benzofuran-2-yl)-1-phenylpropan-1-ol (PubChem CID 114724921) has the molecular formula C18H17ClO2 and a molecular weight of 300.79 g/mol. Its IUPAC name is 3-chloro-1-(5-methyl-1-benzofuran-2-yl)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-chloro-1-(5-methyl-1-benzofuran-2-yl)-1-phenylpropan-1-ol
PubChem CID114724921
Molecular FormulaC18H17ClO2
Molecular Weight300.79 g/mol
Exact Mass300.09
IUPAC Name3-chloro-1-(5-methyl-1-benzofuran-2-yl)-1-phenylpropan-1-ol
SMILESCc1ccc2oc(C(O)(CCCl)c3ccccc3)cc2c1
InChIInChI=1S/C18H17ClO2/c1-13-7-8-16-14(11-13)12-17(21-16)18(20,9-10-19)15-5-3-2-4-6-15/h2-8,11-12,20H,9-10H2,1H3
InChIKeyWKGYXUDBGMJSBH-UHFFFAOYSA-N
XLogP4.61
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(3-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol
CID 114872398
2-amino-1-(5-chloro-1-benzofuran-2-yl)-1-phenylethanol
CID 114724604
1-cyclohexyl-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 114795009
3-chloro-1-(3-fluoro-5-methylphenyl)-1-phenylpropan-1-ol
CID 116696426
methyl 5-(3-chloro-1-hydroxy-1-phenylpropyl)furan-2-carboxylate
CID 106946444
1-(5-methyl-1-benzofuran-2-yl)-1-piperidin-3-ylethanol
CID 114723249
3-amino-1,1,1-trifluoro-2-(5-methyl-1-benzofuran-2-yl)pentan-2-ol
CID 114733018
1-(5-chloro-1-benzofuran-2-yl)-1-(3-methylphenyl)ethanol
CID 114722975
2-(5-methyl-1-benzofuran-2-yl)-4-(propan-2-ylamino)butan-2-ol
CID 114735149
1-(5-fluoro-1-benzofuran-2-yl)-1-phenylethanol
CID 114722950
4-[1-hydroxy-1-(5-methyl-1-benzofuran-2-yl)ethyl]benzonitrile
CID 114724520
1-(5-chloro-1-benzofuran-2-yl)-1-(4-methylphenyl)ethanol
CID 114722955

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(5-methyl-1-benzofuran-2-yl)-1-phenylpropan-1-ol?
The IUPAC name of 3-chloro-1-(5-methyl-1-benzofuran-2-yl)-1-phenylpropan-1-ol (CID 114724921) is 3-chloro-1-(5-methyl-1-benzofuran-2-yl)-1-phenylpropan-1-ol.
What is the SMILES notation for 3-chloro-1-(5-methyl-1-benzofuran-2-yl)-1-phenylpropan-1-ol?
The canonical SMILES for 3-chloro-1-(5-methyl-1-benzofuran-2-yl)-1-phenylpropan-1-ol is Cc1ccc2oc(C(O)(CCCl)c3ccccc3)cc2c1.
What is the InChIKey of 3-chloro-1-(5-methyl-1-benzofuran-2-yl)-1-phenylpropan-1-ol?
The InChIKey is WKGYXUDBGMJSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClO2/c1-13-7-8-16-14(11-13)12-17(21-16)18(20,9-10-19)15-5-3-2-4-6-15/h2-8,11-12,20H,9-10H2,1H3.
What are the key properties of 3-chloro-1-(5-methyl-1-benzofuran-2-yl)-1-phenylpropan-1-ol?
3-chloro-1-(5-methyl-1-benzofuran-2-yl)-1-phenylpropan-1-ol has a molecular weight of 300.79 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(5-methyl-1-benzofuran-2-yl)-1-phenylpropan-1-ol is sourced from PubChem (CID 114724921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).