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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Chaunopyran A
CID 139589702
1-[(6E)-6-[(E)-3-fluorobut-2-enylidene]-5-methylideneoxan-2-yl]ethane-1,2-diol
CID 134377908
(6-fluoro-3,4,6,7-tetrahydro-2H-chromen-2-yl)methanol
CID 164007091
2-Ethoxy-4,5-dimethylcyclohexa-2,4-dien-1-ol
CID 141889934
1,6-Dimethoxy-3-prop-2-enylcyclohexa-3,5-diene-1,2-diol
CID 124032593
((2r,7Ar)-2-methyl-2,4,5,6,7,7a-hexahydrobenzofuran-2-yl)methanol
CID 138756848
(2R,3S,4R)-2-[(1E,3E,5E)-nona-1,3,5-trienyl]oxane-3,4-diol
CID 132967557
(3S,4R)-2-[(1E,3E,5E)-nona-1,3,5-trienyl]oxane-3,4-diol
CID 162815875
6-Hexoxy-2,5,6-trimethylcyclohexa-2,4-dien-1-ol
CID 21697866
(2S,3R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]oxan-3-ol
CID 22848930
2-Methoxy-5-propan-2-ylidenecyclohex-3-en-1-ol
CID 23175216
(2S,3R)-2-deca-2,4,6-trien-2-yloxan-3-ol
CID 57007885

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).