2,3-dimethoxy-5-methyl-4-methylidenecyclohexa-2,5-dien-1-one

C10H12O3 — CID 145481857

IUPAC2,3-dimethoxy-5-methyl-4-methylidenecyclohexa-2,5-dien-1-one
SMILESC=C1C(C)=CC(=O)C(OC)=C1OC
InChIInChI=1S/C10H12O3/c1-6-5-8(11)10(13-4)9(12-3)7(6)2/h5H,2H2,1,3-4H3
InChIKeyCDPMINNDBREQMN-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.58
Rot. Bonds2

About 2,3-dimethoxy-5-methyl-4-methylidenecyclohexa-2,5-dien-1-one

2,3-dimethoxy-5-methyl-4-methylidenecyclohexa-2,5-dien-1-one (PubChem CID 145481857) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 2,3-dimethoxy-5-methyl-4-methylidenecyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name2,3-dimethoxy-5-methyl-4-methylidenecyclohexa-2,5-dien-1-one
PubChem CID145481857
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name2,3-dimethoxy-5-methyl-4-methylidenecyclohexa-2,5-dien-1-one
SMILESC=C1C(C)=CC(=O)C(OC)=C1OC
InChIInChI=1S/C10H12O3/c1-6-5-8(11)10(13-4)9(12-3)7(6)2/h5H,2H2,1,3-4H3
InChIKeyCDPMINNDBREQMN-UHFFFAOYSA-N
XLogP1.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethoxy-5-methyl(513C)cyclohexa-2,5-diene-1,4-dione
CID 102024509
2,3-dimethoxy-5-(trideuteriomethyl)cyclohexa-2,5-diene-1,4-dione
CID 10559424
3-bromo-2-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione
CID 642461
5-hydroxy-2-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione
CID 10583219
2-deuterio-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
CID 46850868
5-butyl-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione
CID 24973737
9,10-dimethoxy-2-methylanthracene-1,4-dione
CID 14283285
2,3-dimethoxy-5,6-dioxocyclohexa-1,3-diene-1-carbaldehyde
CID 101141525
1-ethenyl-3-ethylidene-2-methylcyclohexene;3-methoxy-2-methyl-4-methylidenecyclobut-2-en-1-one
CID 91335423
5-(4-aminophenyl)sulfanyl-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione
CID 10446994
2-tert-butyl-5-methyl-4-methylidenecyclohexa-2,5-dien-1-one;2,5-ditert-butylcyclohexa-2,5-diene-1,4-dione
CID 165080492
(4Z)-4-(3-methoxy-2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-2,3-dimethylcyclohexa-2,5-dien-1-one
CID 20652733

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-5-methyl-4-methylidenecyclohexa-2,5-dien-1-one?
The IUPAC name of 2,3-dimethoxy-5-methyl-4-methylidenecyclohexa-2,5-dien-1-one (CID 145481857) is 2,3-dimethoxy-5-methyl-4-methylidenecyclohexa-2,5-dien-1-one.
What is the SMILES notation for 2,3-dimethoxy-5-methyl-4-methylidenecyclohexa-2,5-dien-1-one?
The canonical SMILES for 2,3-dimethoxy-5-methyl-4-methylidenecyclohexa-2,5-dien-1-one is C=C1C(C)=CC(=O)C(OC)=C1OC.
What is the InChIKey of 2,3-dimethoxy-5-methyl-4-methylidenecyclohexa-2,5-dien-1-one?
The InChIKey is CDPMINNDBREQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-6-5-8(11)10(13-4)9(12-3)7(6)2/h5H,2H2,1,3-4H3.
What are the key properties of 2,3-dimethoxy-5-methyl-4-methylidenecyclohexa-2,5-dien-1-one?
2,3-dimethoxy-5-methyl-4-methylidenecyclohexa-2,5-dien-1-one has a molecular weight of 180.20 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-5-methyl-4-methylidenecyclohexa-2,5-dien-1-one is sourced from PubChem (CID 145481857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).