(E)-(3,4-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol

C10H12O3 — CID 134993751

IUPAC(E)-(3,4-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol
SMILESC=c1cc(OC)c(OC)c/c1=C\O
InChIInChI=1S/C10H12O3/c1-7-4-9(12-2)10(13-3)5-8(7)6-11/h4-6,11H,1H2,2-3H3/b8-6+
InChIKeyHYQZGVOYIGUQCM-SOFGYWHQSA-N
MW180.20 g/mol
LogP0.41
Rot. Bonds2

About (E)-(3,4-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol

(E)-(3,4-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol (PubChem CID 134993751) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is (E)-(3,4-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol.

Molecular Properties

Compound Name(E)-(3,4-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol
PubChem CID134993751
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name(E)-(3,4-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol
SMILESC=c1cc(OC)c(OC)c/c1=C\O
InChIInChI=1S/C10H12O3/c1-7-4-9(12-2)10(13-3)5-8(7)6-11/h4-6,11H,1H2,2-3H3/b8-6+
InChIKeyHYQZGVOYIGUQCM-SOFGYWHQSA-N
XLogP0.41
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-(3,4-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol?
The IUPAC name of (E)-(3,4-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol (CID 134993751) is (E)-(3,4-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol.
What is the SMILES notation for (E)-(3,4-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol?
The canonical SMILES for (E)-(3,4-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol is C=c1cc(OC)c(OC)c/c1=C\O.
What is the InChIKey of (E)-(3,4-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol?
The InChIKey is HYQZGVOYIGUQCM-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H12O3/c1-7-4-9(12-2)10(13-3)5-8(7)6-11/h4-6,11H,1H2,2-3H3/b8-6+.
What are the key properties of (E)-(3,4-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol?
(E)-(3,4-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol has a molecular weight of 180.20 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-(3,4-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol is sourced from PubChem (CID 134993751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).