1-(3,4-dimethoxyphenyl)-2,2-bis(furan-2-yl)ethanol

C18H18O5 — CID 102517509

IUPAC1-(3,4-dimethoxyphenyl)-2,2-bis(furan-2-yl)ethanol
SMILESCOc1ccc(C(O)C(c2ccco2)c2ccco2)cc1OC
InChIInChI=1S/C18H18O5/c1-20-13-8-7-12(11-16(13)21-2)18(19)17(14-5-3-9-22-14)15-6-4-10-23-15/h3-11,17-19H,1-2H3
InChIKeyDLVGEMVAFMRFTC-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.76
Rot. Bonds6

About 1-(3,4-dimethoxyphenyl)-2,2-bis(furan-2-yl)ethanol

1-(3,4-dimethoxyphenyl)-2,2-bis(furan-2-yl)ethanol (PubChem CID 102517509) has the molecular formula C18H18O5 and a molecular weight of 314.34 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2,2-bis(furan-2-yl)ethanol.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2,2-bis(furan-2-yl)ethanol
PubChem CID102517509
Molecular FormulaC18H18O5
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Name1-(3,4-dimethoxyphenyl)-2,2-bis(furan-2-yl)ethanol
SMILESCOc1ccc(C(O)C(c2ccco2)c2ccco2)cc1OC
InChIInChI=1S/C18H18O5/c1-20-13-8-7-12(11-16(13)21-2)18(19)17(14-5-3-9-22-14)15-6-4-10-23-15/h3-11,17-19H,1-2H3
InChIKeyDLVGEMVAFMRFTC-UHFFFAOYSA-N
XLogP3.76
TPSA64.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770
(S)-(3,4-dimethoxyphenyl)-phenylmethanol
CID 7154230
1-(3,4-dimethoxyphenyl)-N-[(1S)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81391321
(3-chloro-4,5-dimethoxyphenyl)-(furan-2-yl)methanol
CID 63947956
(2-fluoro-4,5-dimethoxyphenyl)-(furan-2-yl)methanol
CID 62867118
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
(2-methoxy-4-propan-2-ylphenyl) furan-2-carboxylate
CID 58189999
(1R,2S)-1-amino-1-(3,4-dimethoxyphenyl)-3-methylbutan-2-ol
CID 171160772
3-amino-1-(3,4-dimethoxyphenyl)-2-phenylpropan-1-ol
CID 65186149
(2R,3S)-2-amino-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoic acid
CID 92975262
N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]furan-2-carboxamide
CID 110314871
1,2-dimethoxy-4-(3-methylbutan-2-yl)benzene
CID 23378350

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2,2-bis(furan-2-yl)ethanol?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2,2-bis(furan-2-yl)ethanol (CID 102517509) is 1-(3,4-dimethoxyphenyl)-2,2-bis(furan-2-yl)ethanol.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2,2-bis(furan-2-yl)ethanol?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2,2-bis(furan-2-yl)ethanol is COc1ccc(C(O)C(c2ccco2)c2ccco2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2,2-bis(furan-2-yl)ethanol?
The InChIKey is DLVGEMVAFMRFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O5/c1-20-13-8-7-12(11-16(13)21-2)18(19)17(14-5-3-9-22-14)15-6-4-10-23-15/h3-11,17-19H,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2,2-bis(furan-2-yl)ethanol?
1-(3,4-dimethoxyphenyl)-2,2-bis(furan-2-yl)ethanol has a molecular weight of 314.34 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2,2-bis(furan-2-yl)ethanol is sourced from PubChem (CID 102517509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).