3-[5-(4-chlorophenyl)furan-2-yl]propan-1-ol

C13H13ClO2 — CID 170887546

IUPAC3-[5-(4-chlorophenyl)furan-2-yl]propan-1-ol
SMILESOCCCc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C13H13ClO2/c14-11-5-3-10(4-6-11)13-8-7-12(16-13)2-1-9-15/h3-8,15H,1-2,9H2
InChIKeyKHOVNMISBJBIFK-UHFFFAOYSA-N
MW236.70 g/mol
LogP3.52
Rot. Bonds4

About 3-[5-(4-chlorophenyl)furan-2-yl]propan-1-ol

3-[5-(4-chlorophenyl)furan-2-yl]propan-1-ol (PubChem CID 170887546) has the molecular formula C13H13ClO2 and a molecular weight of 236.70 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)furan-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)furan-2-yl]propan-1-ol
PubChem CID170887546
Molecular FormulaC13H13ClO2
Molecular Weight236.70 g/mol
Exact Mass236.06
IUPAC Name3-[5-(4-chlorophenyl)furan-2-yl]propan-1-ol
SMILESOCCCc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C13H13ClO2/c14-11-5-3-10(4-6-11)13-8-7-12(16-13)2-1-9-15/h3-8,15H,1-2,9H2
InChIKeyKHOVNMISBJBIFK-UHFFFAOYSA-N
XLogP3.52
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-5-propylfuran
CID 91550346
3-[5-(2,4-dichlorophenyl)furan-2-yl]propan-1-ol
CID 170887541
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-ol
CID 115042364
2-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17332097
2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]butan-1-ol
CID 4723603
1-[5-(4-chlorophenyl)furan-2-yl]-N,N-dimethylmethanamine;hydrochloride
CID 131862742
3-[5-(4-bromophenyl)furan-2-yl]propan-1-amine
CID 170878277
2-butyl-5-(4-methylphenyl)furan
CID 86258788
3-[[5-(4-chlorophenyl)furan-2-yl]methoxy]propan-1-amine
CID 112519724
8-[5-(8-hydroxyoctyl)furan-2-yl]octan-1-ol
CID 102476471
N,N-bis[[5-(4-chlorophenyl)furan-2-yl]methyl]pentan-1-amine
CID 21413431
3-[5-(3-chloro-4-fluorophenyl)furan-2-yl]propanoic acid
CID 155486740

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)furan-2-yl]propan-1-ol?
The IUPAC name of 3-[5-(4-chlorophenyl)furan-2-yl]propan-1-ol (CID 170887546) is 3-[5-(4-chlorophenyl)furan-2-yl]propan-1-ol.
What is the SMILES notation for 3-[5-(4-chlorophenyl)furan-2-yl]propan-1-ol?
The canonical SMILES for 3-[5-(4-chlorophenyl)furan-2-yl]propan-1-ol is OCCCc1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 3-[5-(4-chlorophenyl)furan-2-yl]propan-1-ol?
The InChIKey is KHOVNMISBJBIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClO2/c14-11-5-3-10(4-6-11)13-8-7-12(16-13)2-1-9-15/h3-8,15H,1-2,9H2.
What are the key properties of 3-[5-(4-chlorophenyl)furan-2-yl]propan-1-ol?
3-[5-(4-chlorophenyl)furan-2-yl]propan-1-ol has a molecular weight of 236.70 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)furan-2-yl]propan-1-ol is sourced from PubChem (CID 170887546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).