1-(3-chloro-4-methoxyphenyl)-2-(furan-3-yl)ethanol

C13H13ClO3 — CID 83172552

IUPAC1-(3-chloro-4-methoxyphenyl)-2-(furan-3-yl)ethanol
SMILESCOc1ccc(C(O)Cc2ccoc2)cc1Cl
InChIInChI=1S/C13H13ClO3/c1-16-13-3-2-10(7-11(13)14)12(15)6-9-4-5-17-8-9/h2-5,7-8,12,15H,6H2,1H3
InChIKeyIKKNIBCUVLHCDC-UHFFFAOYSA-N
MW252.70 g/mol
LogP3.22
Rot. Bonds4

About 1-(3-chloro-4-methoxyphenyl)-2-(furan-3-yl)ethanol

1-(3-chloro-4-methoxyphenyl)-2-(furan-3-yl)ethanol (PubChem CID 83172552) has the molecular formula C13H13ClO3 and a molecular weight of 252.70 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-2-(furan-3-yl)ethanol.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-2-(furan-3-yl)ethanol
PubChem CID83172552
Molecular FormulaC13H13ClO3
Molecular Weight252.70 g/mol
Exact Mass252.06
IUPAC Name1-(3-chloro-4-methoxyphenyl)-2-(furan-3-yl)ethanol
SMILESCOc1ccc(C(O)Cc2ccoc2)cc1Cl
InChIInChI=1S/C13H13ClO3/c1-16-13-3-2-10(7-11(13)14)12(15)6-9-4-5-17-8-9/h2-5,7-8,12,15H,6H2,1H3
InChIKeyIKKNIBCUVLHCDC-UHFFFAOYSA-N
XLogP3.22
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-6-methoxyphenyl)-2-(furan-3-yl)ethanol
CID 113456462
2-(furan-3-yl)-1-(4-propan-2-ylphenyl)ethanol
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1-(3,4-dichlorophenyl)-2-(3,4-dimethoxyphenyl)ethanol
CID 61081992
2-(2-bromophenyl)-1-(3-chloro-4-methoxyphenyl)ethanol
CID 65026534
1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol
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CID 63203405
3-chloro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-methoxybenzenesulfonamide
CID 97030655
1-(3-chloro-4-methoxyphenyl)-2-piperidin-1-ylethanol
CID 82123734
2-(furan-3-yl)-1-(3-methylphenyl)ethanol
CID 83171478
1-(3-chloro-4-methoxyphenyl)-5-methylheptan-1-ol
CID 167489214
1-(3-chloro-4-methoxyphenyl)-4-methoxy-4-methylpentan-1-ol
CID 103035148
(1R,2S)-1-(3-chloro-4-methoxyphenyl)propane-1,2-diol
CID 10353281

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-(furan-3-yl)ethanol?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-(furan-3-yl)ethanol (CID 83172552) is 1-(3-chloro-4-methoxyphenyl)-2-(furan-3-yl)ethanol.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-2-(furan-3-yl)ethanol?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-2-(furan-3-yl)ethanol is COc1ccc(C(O)Cc2ccoc2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-2-(furan-3-yl)ethanol?
The InChIKey is IKKNIBCUVLHCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClO3/c1-16-13-3-2-10(7-11(13)14)12(15)6-9-4-5-17-8-9/h2-5,7-8,12,15H,6H2,1H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-2-(furan-3-yl)ethanol?
1-(3-chloro-4-methoxyphenyl)-2-(furan-3-yl)ethanol has a molecular weight of 252.70 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-2-(furan-3-yl)ethanol is sourced from PubChem (CID 83172552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).