1-(2-chlorofuran-3-yl)-2-(3-methylphenyl)ethanol

C13H13ClO2 — CID 106689706

IUPAC1-(2-chlorofuran-3-yl)-2-(3-methylphenyl)ethanol
SMILESCc1cccc(CC(O)c2ccoc2Cl)c1
InChIInChI=1S/C13H13ClO2/c1-9-3-2-4-10(7-9)8-12(15)11-5-6-16-13(11)14/h2-7,12,15H,8H2,1H3
InChIKeySRSSVAACKGDAGK-UHFFFAOYSA-N
MW236.70 g/mol
LogP3.52
Rot. Bonds3

About 1-(2-chlorofuran-3-yl)-2-(3-methylphenyl)ethanol

1-(2-chlorofuran-3-yl)-2-(3-methylphenyl)ethanol (PubChem CID 106689706) has the molecular formula C13H13ClO2 and a molecular weight of 236.70 g/mol. Its IUPAC name is 1-(2-chlorofuran-3-yl)-2-(3-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(2-chlorofuran-3-yl)-2-(3-methylphenyl)ethanol
PubChem CID106689706
Molecular FormulaC13H13ClO2
Molecular Weight236.70 g/mol
Exact Mass236.06
IUPAC Name1-(2-chlorofuran-3-yl)-2-(3-methylphenyl)ethanol
SMILESCc1cccc(CC(O)c2ccoc2Cl)c1
InChIInChI=1S/C13H13ClO2/c1-9-3-2-4-10(7-9)8-12(15)11-5-6-16-13(11)14/h2-7,12,15H,8H2,1H3
InChIKeySRSSVAACKGDAGK-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-(4-chloro-2-methylphenyl)-2-(3-methylphenyl)ethanol
CID 114028154
1-(2,3-dichlorophenyl)-2-(3-methylphenyl)ethanol
CID 62792001
2-(3-chloro-4-fluorophenyl)-1-(2-chlorofuran-3-yl)ethanol
CID 106694105
[1-(2-methylfuran-3-yl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105269004
2-(3,5-dimethylphenyl)-1-(2-methylfuran-3-yl)ethanol
CID 104789418
1-(7-chloro-1-benzofuran-2-yl)-2-(3-methylphenyl)ethanol
CID 114726389
1-(2-chlorofuran-3-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol
CID 106693816
2-(3-methylphenyl)-1-(2-methyl-4-pyridinyl)ethanol
CID 106756085
3-methyl-4-(3-methylphenyl)butan-2-ol
CID 22157927
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(3-methylphenyl)ethanol
CID 105077949
1-[2-(difluoromethoxy)phenyl]-2-(3-methylphenyl)ethanol
CID 63017552
2-(3-methylphenyl)-1-pyrimidin-5-ylethanol
CID 62491693

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorofuran-3-yl)-2-(3-methylphenyl)ethanol?
The IUPAC name of 1-(2-chlorofuran-3-yl)-2-(3-methylphenyl)ethanol (CID 106689706) is 1-(2-chlorofuran-3-yl)-2-(3-methylphenyl)ethanol.
What is the SMILES notation for 1-(2-chlorofuran-3-yl)-2-(3-methylphenyl)ethanol?
The canonical SMILES for 1-(2-chlorofuran-3-yl)-2-(3-methylphenyl)ethanol is Cc1cccc(CC(O)c2ccoc2Cl)c1.
What is the InChIKey of 1-(2-chlorofuran-3-yl)-2-(3-methylphenyl)ethanol?
The InChIKey is SRSSVAACKGDAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClO2/c1-9-3-2-4-10(7-9)8-12(15)11-5-6-16-13(11)14/h2-7,12,15H,8H2,1H3.
What are the key properties of 1-(2-chlorofuran-3-yl)-2-(3-methylphenyl)ethanol?
1-(2-chlorofuran-3-yl)-2-(3-methylphenyl)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-(2-chlorofuran-3-yl)-2-(3-methylphenyl)ethanol is sourced from PubChem (CID 106689706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).