2-(3-chlorophenyl)-2-(furan-3-ylmethyl)propane-1,3-diol

C14H15ClO3 — CID 83182538

IUPAC2-(3-chlorophenyl)-2-(furan-3-ylmethyl)propane-1,3-diol
SMILESOCC(CO)(Cc1ccoc1)c1cccc(Cl)c1
InChIInChI=1S/C14H15ClO3/c15-13-3-1-2-12(6-13)14(9-16,10-17)7-11-4-5-18-8-11/h1-6,8,16-17H,7,9-10H2
InChIKeyJCBGRUSJIBBFGC-UHFFFAOYSA-N
MW266.72 g/mol
LogP2.40
Rot. Bonds5

About 2-(3-chlorophenyl)-2-(furan-3-ylmethyl)propane-1,3-diol

2-(3-chlorophenyl)-2-(furan-3-ylmethyl)propane-1,3-diol (PubChem CID 83182538) has the molecular formula C14H15ClO3 and a molecular weight of 266.72 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-(furan-3-ylmethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-(furan-3-ylmethyl)propane-1,3-diol
PubChem CID83182538
Molecular FormulaC14H15ClO3
Molecular Weight266.72 g/mol
Exact Mass266.07
IUPAC Name2-(3-chlorophenyl)-2-(furan-3-ylmethyl)propane-1,3-diol
SMILESOCC(CO)(Cc1ccoc1)c1cccc(Cl)c1
InChIInChI=1S/C14H15ClO3/c15-13-3-1-2-12(6-13)14(9-16,10-17)7-11-4-5-18-8-11/h1-6,8,16-17H,7,9-10H2
InChIKeyJCBGRUSJIBBFGC-UHFFFAOYSA-N
XLogP2.40
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.72
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(4-Chlorophenyl)-2-furyl]methanol
CID 738660
2-[5-(4-Chlorophenyl)-2-furyl]ethanol
CID 745896
5-(3-Chlorophenyl)furfural
CID 609822
(5-(3-Chlorophenyl)-2-furyl)methanol
CID 720975
[5-(2-Chlorophenyl)furan-2-yl]methanol
CID 4796268
2-[(3Z)-6-chloro-3-(furan-3-ylmethylidene)-2-methylinden-1-yl]acetic acid
CID 10171769
(2E)-1-(3-Chlorophenyl)-3-(furan-2-yl)prop-2-en-1-one
CID 46910728
2-(4-Chlorophenyl)furan
CID 10965101
Propionic acid, alpha-(p-chlorophenyl)-beta-(2-furyl)-
CID 103016
5-(3,5-Dichlorophenyl)-2-furanmethanol
CID 834823
4-(4-Chlorophenyl)-2-methyl furan
CID 10867181
5-(3-Chlorophenyl)-2-furanpropanoic acid
CID 21818933

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-(furan-3-ylmethyl)propane-1,3-diol?
The IUPAC name of 2-(3-chlorophenyl)-2-(furan-3-ylmethyl)propane-1,3-diol (CID 83182538) is 2-(3-chlorophenyl)-2-(furan-3-ylmethyl)propane-1,3-diol.
What is the SMILES notation for 2-(3-chlorophenyl)-2-(furan-3-ylmethyl)propane-1,3-diol?
The canonical SMILES for 2-(3-chlorophenyl)-2-(furan-3-ylmethyl)propane-1,3-diol is OCC(CO)(Cc1ccoc1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-2-(furan-3-ylmethyl)propane-1,3-diol?
The InChIKey is JCBGRUSJIBBFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClO3/c15-13-3-1-2-12(6-13)14(9-16,10-17)7-11-4-5-18-8-11/h1-6,8,16-17H,7,9-10H2.
What are the key properties of 2-(3-chlorophenyl)-2-(furan-3-ylmethyl)propane-1,3-diol?
2-(3-chlorophenyl)-2-(furan-3-ylmethyl)propane-1,3-diol has a molecular weight of 266.72 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-(furan-3-ylmethyl)propane-1,3-diol is sourced from PubChem (CID 83182538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).