1,1-bis(2,3-dimethoxyphenyl)ethanol

C18H22O5 — CID 126607821

IUPAC1,1-bis(2,3-dimethoxyphenyl)ethanol
SMILESCOc1cccc(C(C)(O)c2cccc(OC)c2OC)c1OC
InChIInChI=1S/C18H22O5/c1-18(19,12-8-6-10-14(20-2)16(12)22-4)13-9-7-11-15(21-3)17(13)23-5/h6-11,19H,1-5H3
InChIKeyUIODDRYGQWTWMY-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.98
Rot. Bonds6

About 1,1-bis(2,3-dimethoxyphenyl)ethanol

1,1-bis(2,3-dimethoxyphenyl)ethanol (PubChem CID 126607821) has the molecular formula C18H22O5 and a molecular weight of 318.37 g/mol. Its IUPAC name is 1,1-bis(2,3-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name1,1-bis(2,3-dimethoxyphenyl)ethanol
PubChem CID126607821
Molecular FormulaC18H22O5
Molecular Weight318.37 g/mol
Exact Mass318.15
IUPAC Name1,1-bis(2,3-dimethoxyphenyl)ethanol
SMILESCOc1cccc(C(C)(O)c2cccc(OC)c2OC)c1OC
InChIInChI=1S/C18H22O5/c1-18(19,12-8-6-10-14(20-2)16(12)22-4)13-9-7-11-15(21-3)17(13)23-5/h6-11,19H,1-5H3
InChIKeyUIODDRYGQWTWMY-UHFFFAOYSA-N
XLogP2.98
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyphenyl)-1-quinolin-5-ylethanol
CID 81198597
1-(2,6-dimethoxyphenyl)-1-(2-methoxyphenyl)ethanol
CID 116809641
1,2,3-trimethoxybenzene;hydrofluoride
CID 174818666
1-(3-bromo-2,4-dimethoxyphenyl)-1-(2-bromophenyl)ethanol
CID 103522810
2-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 591994
2-(5-methoxynaphthalen-1-yl)propan-2-amine
CID 105468872
3-(2-methoxyphenyl)-2,2,4,4-tetramethylpentan-3-ol
CID 606344
1-(4-tert-butylphenyl)-1-(2-methoxyphenyl)ethanol
CID 62549935
[(2,3-dimethoxyphenyl)-diphenylmethyl]phosphonic acid
CID 67379044
2-(2-ethoxy-3-methoxyphenyl)-2-methylpropan-1-ol
CID 117322280
2-(3-methoxy-2-propan-2-ylphenyl)propan-2-ol
CID 117297916
2-(5-methoxynaphthalen-1-yl)-2-methylpropan-1-amine
CID 105487005

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2,3-dimethoxyphenyl)ethanol?
The IUPAC name of 1,1-bis(2,3-dimethoxyphenyl)ethanol (CID 126607821) is 1,1-bis(2,3-dimethoxyphenyl)ethanol.
What is the SMILES notation for 1,1-bis(2,3-dimethoxyphenyl)ethanol?
The canonical SMILES for 1,1-bis(2,3-dimethoxyphenyl)ethanol is COc1cccc(C(C)(O)c2cccc(OC)c2OC)c1OC.
What is the InChIKey of 1,1-bis(2,3-dimethoxyphenyl)ethanol?
The InChIKey is UIODDRYGQWTWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O5/c1-18(19,12-8-6-10-14(20-2)16(12)22-4)13-9-7-11-15(21-3)17(13)23-5/h6-11,19H,1-5H3.
What are the key properties of 1,1-bis(2,3-dimethoxyphenyl)ethanol?
1,1-bis(2,3-dimethoxyphenyl)ethanol has a molecular weight of 318.37 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(2,3-dimethoxyphenyl)ethanol is sourced from PubChem (CID 126607821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).