(E)-(2,3,4-trimethoxy-6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)methanol

C13H18O4 — CID 164668358

IUPAC(E)-(2,3,4-trimethoxy-6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)methanol
SMILESCOc1cc(=C(C)C)/c(=C\O)c(OC)c1OC
InChIInChI=1S/C13H18O4/c1-8(2)9-6-11(15-3)13(17-5)12(16-4)10(9)7-14/h6-7,14H,1-5H3/b10-7+
InChIKeyFFLLEDXONZFSEV-JXMROGBWSA-N
MW238.28 g/mol
LogP1.20
Rot. Bonds3

About (E)-(2,3,4-trimethoxy-6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)methanol

(E)-(2,3,4-trimethoxy-6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)methanol (PubChem CID 164668358) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is (E)-(2,3,4-trimethoxy-6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)methanol.

Molecular Properties

Compound Name(E)-(2,3,4-trimethoxy-6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)methanol
PubChem CID164668358
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name(E)-(2,3,4-trimethoxy-6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)methanol
SMILESCOc1cc(=C(C)C)/c(=C\O)c(OC)c1OC
InChIInChI=1S/C13H18O4/c1-8(2)9-6-11(15-3)13(17-5)12(16-4)10(9)7-14/h6-7,14H,1-5H3/b10-7+
InChIKeyFFLLEDXONZFSEV-JXMROGBWSA-N
XLogP1.20
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (E)-(2,3,4-trimethoxy-6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)methanol 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

(E)-(5-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol
CID 134993306
(E)-(3,4-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol
CID 134993751
6-[(1E)-1-ethoxy-2-methylbuta-1,3-dienyl]-3,4-dihydro-2H-pyran
CID 11321491
2-[2-(7,8-Dimethoxy-2-benzoxepin-1-yl)ethoxy]ethanol
CID 20394132
2,6-Dimethoxy-4-prop-2-enylcyclohexa-2,4-dien-1-ol
CID 23451416
4-(3-Hydroxyprop-1-enyl)-2,6-dimethoxycyclohexa-1,5-dien-1-ol
CID 67932052
2-[3-(2-Hydroxyethoxy)cyclohexa-1,3-dien-1-yl]oxyethanol
CID 70974039
(2E)-2-(3,4-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)pent-3-en-1-ol
CID 71085282
1,5,6-Trimethoxy-3-methylcyclohexa-1,3-diene
CID 89169931
3-Ethyl-1,5,6-trimethoxycyclohexa-1,3-diene
CID 89546431
2-[1-(2-Methoxycyclohexa-1,5-dien-1-yl)ethoxy]ethanol
CID 89688748
3-Ethyl-1,2,6-trimethoxycyclohexa-1,3-diene
CID 90726138

Frequently Asked Questions

What is the IUPAC name of (E)-(2,3,4-trimethoxy-6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)methanol?
The IUPAC name of (E)-(2,3,4-trimethoxy-6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)methanol (CID 164668358) is (E)-(2,3,4-trimethoxy-6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)methanol.
What is the SMILES notation for (E)-(2,3,4-trimethoxy-6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)methanol?
The canonical SMILES for (E)-(2,3,4-trimethoxy-6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)methanol is COc1cc(=C(C)C)/c(=C\O)c(OC)c1OC.
What is the InChIKey of (E)-(2,3,4-trimethoxy-6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)methanol?
The InChIKey is FFLLEDXONZFSEV-JXMROGBWSA-N. The full InChI is InChI=1S/C13H18O4/c1-8(2)9-6-11(15-3)13(17-5)12(16-4)10(9)7-14/h6-7,14H,1-5H3/b10-7+.
What are the key properties of (E)-(2,3,4-trimethoxy-6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)methanol?
(E)-(2,3,4-trimethoxy-6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)methanol has a molecular weight of 238.28 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-(2,3,4-trimethoxy-6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)methanol is sourced from PubChem (CID 164668358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).