2-[4-(2-hydroxyethoxy)-5-propan-2-ylidenecyclohexa-1,3-dien-1-yl]ethanol

C13H20O3 — CID 19016661

IUPAC2-[4-(2-hydroxyethoxy)-5-propan-2-ylidenecyclohexa-1,3-dien-1-yl]ethanol
SMILESCC(C)=C1CC(CCO)=CC=C1OCCO
InChIInChI=1S/C13H20O3/c1-10(2)12-9-11(5-6-14)3-4-13(12)16-8-7-15/h3-4,14-15H,5-9H2,1-2H3
InChIKeyDCLMVALIEZTUPN-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.93
Rot. Bonds5

About 2-[4-(2-hydroxyethoxy)-5-propan-2-ylidenecyclohexa-1,3-dien-1-yl]ethanol

2-[4-(2-hydroxyethoxy)-5-propan-2-ylidenecyclohexa-1,3-dien-1-yl]ethanol (PubChem CID 19016661) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethoxy)-5-propan-2-ylidenecyclohexa-1,3-dien-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2-hydroxyethoxy)-5-propan-2-ylidenecyclohexa-1,3-dien-1-yl]ethanol
PubChem CID19016661
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name2-[4-(2-hydroxyethoxy)-5-propan-2-ylidenecyclohexa-1,3-dien-1-yl]ethanol
SMILESCC(C)=C1CC(CCO)=CC=C1OCCO
InChIInChI=1S/C13H20O3/c1-10(2)12-9-11(5-6-14)3-4-13(12)16-8-7-15/h3-4,14-15H,5-9H2,1-2H3
InChIKeyDCLMVALIEZTUPN-UHFFFAOYSA-N
XLogP1.93
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethoxy)-5-propan-2-ylidenecyclohexa-1,3-dien-1-yl]ethanol?
The IUPAC name of 2-[4-(2-hydroxyethoxy)-5-propan-2-ylidenecyclohexa-1,3-dien-1-yl]ethanol (CID 19016661) is 2-[4-(2-hydroxyethoxy)-5-propan-2-ylidenecyclohexa-1,3-dien-1-yl]ethanol.
What is the SMILES notation for 2-[4-(2-hydroxyethoxy)-5-propan-2-ylidenecyclohexa-1,3-dien-1-yl]ethanol?
The canonical SMILES for 2-[4-(2-hydroxyethoxy)-5-propan-2-ylidenecyclohexa-1,3-dien-1-yl]ethanol is CC(C)=C1CC(CCO)=CC=C1OCCO.
What is the InChIKey of 2-[4-(2-hydroxyethoxy)-5-propan-2-ylidenecyclohexa-1,3-dien-1-yl]ethanol?
The InChIKey is DCLMVALIEZTUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-10(2)12-9-11(5-6-14)3-4-13(12)16-8-7-15/h3-4,14-15H,5-9H2,1-2H3.
What are the key properties of 2-[4-(2-hydroxyethoxy)-5-propan-2-ylidenecyclohexa-1,3-dien-1-yl]ethanol?
2-[4-(2-hydroxyethoxy)-5-propan-2-ylidenecyclohexa-1,3-dien-1-yl]ethanol has a molecular weight of 224.30 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethoxy)-5-propan-2-ylidenecyclohexa-1,3-dien-1-yl]ethanol is sourced from PubChem (CID 19016661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).