2-[4-(2-hydroxyethoxy)-6-methylcyclohexa-2,4-dien-1-yl]oxyethanol

C11H18O4 — CID 170389293

IUPAC2-[4-(2-hydroxyethoxy)-6-methylcyclohexa-2,4-dien-1-yl]oxyethanol
SMILESCC1C=C(OCCO)C=CC1OCCO
InChIInChI=1S/C11H18O4/c1-9-8-10(14-6-4-12)2-3-11(9)15-7-5-13/h2-3,8-9,11-13H,4-7H2,1H3
InChIKeySOFBRYFVPZAZDV-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.46
Rot. Bonds6

About 2-[4-(2-hydroxyethoxy)-6-methylcyclohexa-2,4-dien-1-yl]oxyethanol

2-[4-(2-hydroxyethoxy)-6-methylcyclohexa-2,4-dien-1-yl]oxyethanol (PubChem CID 170389293) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethoxy)-6-methylcyclohexa-2,4-dien-1-yl]oxyethanol.

Molecular Properties

Compound Name2-[4-(2-hydroxyethoxy)-6-methylcyclohexa-2,4-dien-1-yl]oxyethanol
PubChem CID170389293
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name2-[4-(2-hydroxyethoxy)-6-methylcyclohexa-2,4-dien-1-yl]oxyethanol
SMILESCC1C=C(OCCO)C=CC1OCCO
InChIInChI=1S/C11H18O4/c1-9-8-10(14-6-4-12)2-3-11(9)15-7-5-13/h2-3,8-9,11-13H,4-7H2,1H3
InChIKeySOFBRYFVPZAZDV-UHFFFAOYSA-N
XLogP0.46
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethoxy)-6-methylcyclohexa-2,4-dien-1-yl]oxyethanol?
The IUPAC name of 2-[4-(2-hydroxyethoxy)-6-methylcyclohexa-2,4-dien-1-yl]oxyethanol (CID 170389293) is 2-[4-(2-hydroxyethoxy)-6-methylcyclohexa-2,4-dien-1-yl]oxyethanol.
What is the SMILES notation for 2-[4-(2-hydroxyethoxy)-6-methylcyclohexa-2,4-dien-1-yl]oxyethanol?
The canonical SMILES for 2-[4-(2-hydroxyethoxy)-6-methylcyclohexa-2,4-dien-1-yl]oxyethanol is CC1C=C(OCCO)C=CC1OCCO.
What is the InChIKey of 2-[4-(2-hydroxyethoxy)-6-methylcyclohexa-2,4-dien-1-yl]oxyethanol?
The InChIKey is SOFBRYFVPZAZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-9-8-10(14-6-4-12)2-3-11(9)15-7-5-13/h2-3,8-9,11-13H,4-7H2,1H3.
What are the key properties of 2-[4-(2-hydroxyethoxy)-6-methylcyclohexa-2,4-dien-1-yl]oxyethanol?
2-[4-(2-hydroxyethoxy)-6-methylcyclohexa-2,4-dien-1-yl]oxyethanol has a molecular weight of 214.26 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethoxy)-6-methylcyclohexa-2,4-dien-1-yl]oxyethanol is sourced from PubChem (CID 170389293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).