1-(3-ethyl-4-methoxyphenyl)ethane-1,2-diol

C11H16O3 — CID 82281977

IUPAC1-(3-ethyl-4-methoxyphenyl)ethane-1,2-diol
SMILESCCc1cc(C(O)CO)ccc1OC
InChIInChI=1S/C11H16O3/c1-3-8-6-9(10(13)7-12)4-5-11(8)14-2/h4-6,10,12-13H,3,7H2,1-2H3
InChIKeySQOKHRBNFLAYLC-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.28
Rot. Bonds4

About 1-(3-ethyl-4-methoxyphenyl)ethane-1,2-diol

1-(3-ethyl-4-methoxyphenyl)ethane-1,2-diol (PubChem CID 82281977) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(3-ethyl-4-methoxyphenyl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(3-ethyl-4-methoxyphenyl)ethane-1,2-diol
PubChem CID82281977
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name1-(3-ethyl-4-methoxyphenyl)ethane-1,2-diol
SMILESCCc1cc(C(O)CO)ccc1OC
InChIInChI=1S/C11H16O3/c1-3-8-6-9(10(13)7-12)4-5-11(8)14-2/h4-6,10,12-13H,3,7H2,1-2H3
InChIKeySQOKHRBNFLAYLC-UHFFFAOYSA-N
XLogP1.28
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethyl-4-methoxyphenyl)ethanol
CID 83529963
(1S)-1-(3-bromo-4-methoxyphenyl)ethane-1,2-diol
CID 11390954
4-(difluoromethyl)-2-ethyl-1-methoxybenzene
CID 176934725
2-(ethylamino)-1-(3-ethyl-4-methoxyphenyl)propan-1-ol
CID 112512326
(3-ethyl-4-methoxyphenyl)-piperidin-4-ylmethanol
CID 82297068
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetic acid
CID 82473167
methyl 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetate
CID 116856998
1-(3-ethyl-4-methoxyphenyl)butane-1,3-diamine
CID 116933248
2-cyano-2-(3-ethyl-4-methoxyphenyl)acetic acid
CID 82114135
(2R)-2-amino-2-[3-(hydroxymethyl)-4-methoxyphenyl]ethanol
CID 66510832
2-(3-ethyl-4-methoxyphenyl)-N-methylpropanehydrazide
CID 116845766

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-4-methoxyphenyl)ethane-1,2-diol?
The IUPAC name of 1-(3-ethyl-4-methoxyphenyl)ethane-1,2-diol (CID 82281977) is 1-(3-ethyl-4-methoxyphenyl)ethane-1,2-diol.
What is the SMILES notation for 1-(3-ethyl-4-methoxyphenyl)ethane-1,2-diol?
The canonical SMILES for 1-(3-ethyl-4-methoxyphenyl)ethane-1,2-diol is CCc1cc(C(O)CO)ccc1OC.
What is the InChIKey of 1-(3-ethyl-4-methoxyphenyl)ethane-1,2-diol?
The InChIKey is SQOKHRBNFLAYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-3-8-6-9(10(13)7-12)4-5-11(8)14-2/h4-6,10,12-13H,3,7H2,1-2H3.
What are the key properties of 1-(3-ethyl-4-methoxyphenyl)ethane-1,2-diol?
1-(3-ethyl-4-methoxyphenyl)ethane-1,2-diol has a molecular weight of 196.25 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-4-methoxyphenyl)ethane-1,2-diol is sourced from PubChem (CID 82281977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).