6-(diethylaminomethylidene)-2-methoxycyclohexa-1,3-dien-1-ol

C12H19NO2 — CID 87695748

IUPAC6-(diethylaminomethylidene)-2-methoxycyclohexa-1,3-dien-1-ol
SMILESCCN(C=C1CC=CC(OC)=C1O)CC
InChIInChI=1S/C12H19NO2/c1-4-13(5-2)9-10-7-6-8-11(15-3)12(10)14/h6,8-9,14H,4-5,7H2,1-3H3
InChIKeyOIBZYYVLWGTPRU-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.59
Rot. Bonds4

About 6-(diethylaminomethylidene)-2-methoxycyclohexa-1,3-dien-1-ol

6-(diethylaminomethylidene)-2-methoxycyclohexa-1,3-dien-1-ol (PubChem CID 87695748) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 6-(diethylaminomethylidene)-2-methoxycyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name6-(diethylaminomethylidene)-2-methoxycyclohexa-1,3-dien-1-ol
PubChem CID87695748
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name6-(diethylaminomethylidene)-2-methoxycyclohexa-1,3-dien-1-ol
SMILESCCN(C=C1CC=CC(OC)=C1O)CC
InChIInChI=1S/C12H19NO2/c1-4-13(5-2)9-10-7-6-8-11(15-3)12(10)14/h6,8-9,14H,4-5,7H2,1-3H3
InChIKeyOIBZYYVLWGTPRU-UHFFFAOYSA-N
XLogP2.59
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(diethylaminomethylidene)-2-methoxycyclohexa-1,3-dien-1-ol?
The IUPAC name of 6-(diethylaminomethylidene)-2-methoxycyclohexa-1,3-dien-1-ol (CID 87695748) is 6-(diethylaminomethylidene)-2-methoxycyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 6-(diethylaminomethylidene)-2-methoxycyclohexa-1,3-dien-1-ol?
The canonical SMILES for 6-(diethylaminomethylidene)-2-methoxycyclohexa-1,3-dien-1-ol is CCN(C=C1CC=CC(OC)=C1O)CC.
What is the InChIKey of 6-(diethylaminomethylidene)-2-methoxycyclohexa-1,3-dien-1-ol?
The InChIKey is OIBZYYVLWGTPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-4-13(5-2)9-10-7-6-8-11(15-3)12(10)14/h6,8-9,14H,4-5,7H2,1-3H3.
What are the key properties of 6-(diethylaminomethylidene)-2-methoxycyclohexa-1,3-dien-1-ol?
6-(diethylaminomethylidene)-2-methoxycyclohexa-1,3-dien-1-ol has a molecular weight of 209.29 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylaminomethylidene)-2-methoxycyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 87695748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).