1-(2-chloro-6-methoxyphenyl)-2-(furan-3-yl)ethanol

C13H13ClO3 — CID 113456462

IUPAC1-(2-chloro-6-methoxyphenyl)-2-(furan-3-yl)ethanol
SMILESCOc1cccc(Cl)c1C(O)Cc1ccoc1
InChIInChI=1S/C13H13ClO3/c1-16-12-4-2-3-10(14)13(12)11(15)7-9-5-6-17-8-9/h2-6,8,11,15H,7H2,1H3
InChIKeyURGSTMYLWSZLKP-UHFFFAOYSA-N
MW252.70 g/mol
LogP3.22
Rot. Bonds4

About 1-(2-chloro-6-methoxyphenyl)-2-(furan-3-yl)ethanol

1-(2-chloro-6-methoxyphenyl)-2-(furan-3-yl)ethanol (PubChem CID 113456462) has the molecular formula C13H13ClO3 and a molecular weight of 252.70 g/mol. Its IUPAC name is 1-(2-chloro-6-methoxyphenyl)-2-(furan-3-yl)ethanol.

Molecular Properties

Compound Name1-(2-chloro-6-methoxyphenyl)-2-(furan-3-yl)ethanol
PubChem CID113456462
Molecular FormulaC13H13ClO3
Molecular Weight252.70 g/mol
Exact Mass252.06
IUPAC Name1-(2-chloro-6-methoxyphenyl)-2-(furan-3-yl)ethanol
SMILESCOc1cccc(Cl)c1C(O)Cc1ccoc1
InChIInChI=1S/C13H13ClO3/c1-16-12-4-2-3-10(14)13(12)11(15)7-9-5-6-17-8-9/h2-6,8,11,15H,7H2,1H3
InChIKeyURGSTMYLWSZLKP-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-(3-chloro-4-methoxyphenyl)-2-(furan-3-yl)ethanol
CID 83172552
2-(2-amino-4-pyridinyl)-1-(2-chloro-6-methoxyphenyl)ethanol
CID 104817206
1-(2-chloro-6-methoxyphenyl)-3-methylbutan-1-ol
CID 104817046
2-(4-chlorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
CID 63016764
2-(3,4-dichlorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
CID 63045810
1-(2-chloro-6-methoxyphenyl)-3-ethylheptan-1-ol
CID 104817350
1-(2-chloro-6-methoxyphenyl)-2-pyridin-2-ylethanol
CID 113456442
2-(3-chloro-2-fluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
CID 116810239
1-(2,6-dichlorophenyl)-2-(4-methoxyphenyl)ethanol
CID 63018440
1-(2,6-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanol
CID 63018245
1-(2,6-dimethoxyphenyl)-2-(4-ethylphenyl)ethanol
CID 114980746
N-[1-(2-fluoro-6-methoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 83182367

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methoxyphenyl)-2-(furan-3-yl)ethanol?
The IUPAC name of 1-(2-chloro-6-methoxyphenyl)-2-(furan-3-yl)ethanol (CID 113456462) is 1-(2-chloro-6-methoxyphenyl)-2-(furan-3-yl)ethanol.
What is the SMILES notation for 1-(2-chloro-6-methoxyphenyl)-2-(furan-3-yl)ethanol?
The canonical SMILES for 1-(2-chloro-6-methoxyphenyl)-2-(furan-3-yl)ethanol is COc1cccc(Cl)c1C(O)Cc1ccoc1.
What is the InChIKey of 1-(2-chloro-6-methoxyphenyl)-2-(furan-3-yl)ethanol?
The InChIKey is URGSTMYLWSZLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClO3/c1-16-12-4-2-3-10(14)13(12)11(15)7-9-5-6-17-8-9/h2-6,8,11,15H,7H2,1H3.
What are the key properties of 1-(2-chloro-6-methoxyphenyl)-2-(furan-3-yl)ethanol?
1-(2-chloro-6-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-(2-chloro-6-methoxyphenyl)-2-(furan-3-yl)ethanol is sourced from PubChem (CID 113456462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).