1-(5-chloro-2-methylphenyl)-2-(furan-3-yl)ethanol

C13H13ClO2 — CID 115830406

IUPAC1-(5-chloro-2-methylphenyl)-2-(furan-3-yl)ethanol
SMILESCc1ccc(Cl)cc1C(O)Cc1ccoc1
InChIInChI=1S/C13H13ClO2/c1-9-2-3-11(14)7-12(9)13(15)6-10-4-5-16-8-10/h2-5,7-8,13,15H,6H2,1H3
InChIKeyDCHVQDKGWUFTKU-UHFFFAOYSA-N
MW236.70 g/mol
LogP3.52
Rot. Bonds3

About 1-(5-chloro-2-methylphenyl)-2-(furan-3-yl)ethanol

1-(5-chloro-2-methylphenyl)-2-(furan-3-yl)ethanol (PubChem CID 115830406) has the molecular formula C13H13ClO2 and a molecular weight of 236.70 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-2-(furan-3-yl)ethanol.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-2-(furan-3-yl)ethanol
PubChem CID115830406
Molecular FormulaC13H13ClO2
Molecular Weight236.70 g/mol
Exact Mass236.06
IUPAC Name1-(5-chloro-2-methylphenyl)-2-(furan-3-yl)ethanol
SMILESCc1ccc(Cl)cc1C(O)Cc1ccoc1
InChIInChI=1S/C13H13ClO2/c1-9-2-3-11(14)7-12(9)13(15)6-10-4-5-16-8-10/h2-5,7-8,13,15H,6H2,1H3
InChIKeyDCHVQDKGWUFTKU-UHFFFAOYSA-N
XLogP3.52
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

1-(5-chloro-2-methylphenyl)-2-(4-ethylphenyl)ethanol
CID 114980972
N-[1-(2,5-dichlorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105030186
2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanol
CID 106868133
1-(5-chloro-2-methylphenyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107065654
1-(2,6-dimethyl-3-pyridinyl)-2-(furan-3-yl)ethanol
CID 105123131
[1-(2,4-dichlorophenyl)-2-(furan-3-yl)ethyl]hydrazine
CID 105331708
2-(2-chloro-3-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol
CID 115831225
2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol
CID 82891487
2-(4-chlorophenyl)-1-(2,4,5-trimethylphenyl)ethanol
CID 64989886
2-(furan-3-yl)-1-(4-methylphenyl)ethanol
CID 11206462
2-(furan-3-yl)-1-(4-propan-2-ylphenyl)ethanol
CID 83173147
1-(5-chloro-2-methylphenyl)decan-1-ol
CID 115783029

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-2-(furan-3-yl)ethanol?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-2-(furan-3-yl)ethanol (CID 115830406) is 1-(5-chloro-2-methylphenyl)-2-(furan-3-yl)ethanol.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-2-(furan-3-yl)ethanol?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-2-(furan-3-yl)ethanol is Cc1ccc(Cl)cc1C(O)Cc1ccoc1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-2-(furan-3-yl)ethanol?
The InChIKey is DCHVQDKGWUFTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClO2/c1-9-2-3-11(14)7-12(9)13(15)6-10-4-5-16-8-10/h2-5,7-8,13,15H,6H2,1H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-2-(furan-3-yl)ethanol?
1-(5-chloro-2-methylphenyl)-2-(furan-3-yl)ethanol has a molecular weight of 236.70 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-2-(furan-3-yl)ethanol is sourced from PubChem (CID 115830406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).