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

C10H16O4 — CID 173470509

IUPAC2-[4-(2-hydroxyethoxy)cyclohexa-2,4-dien-1-yl]oxyethanol
SMILESOCCOC1=CCC(OCCO)C=C1
InChIInChI=1S/C10H16O4/c11-5-7-13-9-1-2-10(4-3-9)14-8-6-12/h1-3,10-12H,4-8H2
InChIKeyLTQHFYDRVZPKCI-UHFFFAOYSA-N
MW200.23 g/mol
LogP0.22
Rot. Bonds6

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

2-[4-(2-hydroxyethoxy)cyclohexa-2,4-dien-1-yl]oxyethanol (PubChem CID 173470509) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethoxy)cyclohexa-2,4-dien-1-yl]oxyethanol.

Molecular Properties

Compound Name2-[4-(2-hydroxyethoxy)cyclohexa-2,4-dien-1-yl]oxyethanol
PubChem CID173470509
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name2-[4-(2-hydroxyethoxy)cyclohexa-2,4-dien-1-yl]oxyethanol
SMILESOCCOC1=CCC(OCCO)C=C1
InChIInChI=1S/C10H16O4/c11-5-7-13-9-1-2-10(4-3-9)14-8-6-12/h1-3,10-12H,4-8H2
InChIKeyLTQHFYDRVZPKCI-UHFFFAOYSA-N
XLogP0.22
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Hydroxymethyl)pyran
CID 20276838
(2R,3Z)-3-[(E)-2-fluoroprop-1-enyl]-4-methoxy-2-(2-methoxyethoxy)hexa-3,5-dien-1-ol
CID 129160832
1-[4-(Hydroxymethyl)cyclohexa-1,5-dien-1-yl]oxypropan-2-ol
CID 163631919
2-(Cyclohexa-1,5-dien-1-ylmethoxy)propane-1,3-diol
CID 166531011
6-(1-ethoxybuta-1,3-dienyl)-3,6-dihydro-2H-pyran
CID 91598969
(2E,5Z)-5-ethoxyocta-2,5,7-trien-4-ol
CID 101669716
Pyranylather
CID 129648533
4,5-Dimethoxy-3,5-cyclohexadiene-1,2-diol
CID 129661902
(6,7,9,10,12,13,15,16-Octahydro-benzo-1,4,7,10,13-pentaoxacyclopentadecin)
CID 171855026
2-[(5E)-nona-1,5-dien-4-yl]oxyethanol
CID 10511705
2-[(5E)-hepta-1,5-dien-4-yl]oxyethanol
CID 10702062
(2E,5E)-5-ethoxyocta-2,5,7-trien-4-ol
CID 11819421

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethoxy)cyclohexa-2,4-dien-1-yl]oxyethanol?
The IUPAC name of 2-[4-(2-hydroxyethoxy)cyclohexa-2,4-dien-1-yl]oxyethanol (CID 173470509) is 2-[4-(2-hydroxyethoxy)cyclohexa-2,4-dien-1-yl]oxyethanol.
What is the SMILES notation for 2-[4-(2-hydroxyethoxy)cyclohexa-2,4-dien-1-yl]oxyethanol?
The canonical SMILES for 2-[4-(2-hydroxyethoxy)cyclohexa-2,4-dien-1-yl]oxyethanol is OCCOC1=CCC(OCCO)C=C1.
What is the InChIKey of 2-[4-(2-hydroxyethoxy)cyclohexa-2,4-dien-1-yl]oxyethanol?
The InChIKey is LTQHFYDRVZPKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c11-5-7-13-9-1-2-10(4-3-9)14-8-6-12/h1-3,10-12H,4-8H2.
What are the key properties of 2-[4-(2-hydroxyethoxy)cyclohexa-2,4-dien-1-yl]oxyethanol?
2-[4-(2-hydroxyethoxy)cyclohexa-2,4-dien-1-yl]oxyethanol has a molecular weight of 200.23 g/mol, XLogP of 0.22, 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)cyclohexa-2,4-dien-1-yl]oxyethanol is sourced from PubChem (CID 173470509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).