2-(3-chlorophenyl)-1-(5-methylfuran-3-yl)ethanol

C13H13ClO2 — CID 114822934

IUPAC2-(3-chlorophenyl)-1-(5-methylfuran-3-yl)ethanol
SMILESCc1cc(C(O)Cc2cccc(Cl)c2)co1
InChIInChI=1S/C13H13ClO2/c1-9-5-11(8-16-9)13(15)7-10-3-2-4-12(14)6-10/h2-6,8,13,15H,7H2,1H3
InChIKeyWRZNOTNCIWHFQN-UHFFFAOYSA-N
MW236.70 g/mol
LogP3.52
Rot. Bonds3

About 2-(3-chlorophenyl)-1-(5-methylfuran-3-yl)ethanol

2-(3-chlorophenyl)-1-(5-methylfuran-3-yl)ethanol (PubChem CID 114822934) has the molecular formula C13H13ClO2 and a molecular weight of 236.70 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(5-methylfuran-3-yl)ethanol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(5-methylfuran-3-yl)ethanol
PubChem CID114822934
Molecular FormulaC13H13ClO2
Molecular Weight236.70 g/mol
Exact Mass236.06
IUPAC Name2-(3-chlorophenyl)-1-(5-methylfuran-3-yl)ethanol
SMILESCc1cc(C(O)Cc2cccc(Cl)c2)co1
InChIInChI=1S/C13H13ClO2/c1-9-5-11(8-16-9)13(15)7-10-3-2-4-12(14)6-10/h2-6,8,13,15H,7H2,1H3
InChIKeyWRZNOTNCIWHFQN-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

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CID 114821301
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2-(3-chlorophenyl)-1-(4-fluorophenyl)ethanol
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2-(3-chlorophenyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanol
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2-(3-chlorophenyl)-1-[3-(difluoromethyl)phenyl]ethanol
CID 115527783
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CID 60797621
2-(3-chlorophenyl)-1-(1H-pyrrol-3-yl)ethanol
CID 63750366
2-(3-chlorophenyl)-1-(2-methylnaphthalen-1-yl)ethanol
CID 81430142
1-(3-chlorophenyl)pentane-2,3-diol
CID 103454691
2-(3-bromophenyl)-1-(3-chlorophenyl)ethanol
CID 60797873
1-(3-chlorophenyl)-2-(3-fluorophenyl)ethanol
CID 60798270
2-(2,5-difluorophenyl)-1-(5-methylfuran-3-yl)ethanol
CID 114982000

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(5-methylfuran-3-yl)ethanol?
The IUPAC name of 2-(3-chlorophenyl)-1-(5-methylfuran-3-yl)ethanol (CID 114822934) is 2-(3-chlorophenyl)-1-(5-methylfuran-3-yl)ethanol.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(5-methylfuran-3-yl)ethanol?
The canonical SMILES for 2-(3-chlorophenyl)-1-(5-methylfuran-3-yl)ethanol is Cc1cc(C(O)Cc2cccc(Cl)c2)co1.
What is the InChIKey of 2-(3-chlorophenyl)-1-(5-methylfuran-3-yl)ethanol?
The InChIKey is WRZNOTNCIWHFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClO2/c1-9-5-11(8-16-9)13(15)7-10-3-2-4-12(14)6-10/h2-6,8,13,15H,7H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-1-(5-methylfuran-3-yl)ethanol?
2-(3-chlorophenyl)-1-(5-methylfuran-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 2-(3-chlorophenyl)-1-(5-methylfuran-3-yl)ethanol is sourced from PubChem (CID 114822934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).