6-[(4-methoxy-5,5-dimethylcyclohexa-1,3-dien-1-yl)methyl]cyclohexa-2,4-dien-1-one

C16H20O2 — CID 155676304

IUPAC6-[(4-methoxy-5,5-dimethylcyclohexa-1,3-dien-1-yl)methyl]cyclohexa-2,4-dien-1-one
SMILESCOC1=CC=C(CC2C=CC=CC2=O)CC1(C)C
InChIInChI=1S/C16H20O2/c1-16(2)11-12(8-9-15(16)18-3)10-13-6-4-5-7-14(13)17/h4-9,13H,10-11H2,1-3H3
InChIKeyRMBPIVLRSKVMQB-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.57
Rot. Bonds3

About 6-[(4-methoxy-5,5-dimethylcyclohexa-1,3-dien-1-yl)methyl]cyclohexa-2,4-dien-1-one

6-[(4-methoxy-5,5-dimethylcyclohexa-1,3-dien-1-yl)methyl]cyclohexa-2,4-dien-1-one (PubChem CID 155676304) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 6-[(4-methoxy-5,5-dimethylcyclohexa-1,3-dien-1-yl)methyl]cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name6-[(4-methoxy-5,5-dimethylcyclohexa-1,3-dien-1-yl)methyl]cyclohexa-2,4-dien-1-one
PubChem CID155676304
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name6-[(4-methoxy-5,5-dimethylcyclohexa-1,3-dien-1-yl)methyl]cyclohexa-2,4-dien-1-one
SMILESCOC1=CC=C(CC2C=CC=CC2=O)CC1(C)C
InChIInChI=1S/C16H20O2/c1-16(2)11-12(8-9-15(16)18-3)10-13-6-4-5-7-14(13)17/h4-9,13H,10-11H2,1-3H3
InChIKeyRMBPIVLRSKVMQB-UHFFFAOYSA-N
XLogP3.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-[(4-methoxy-5,5-dimethylcyclohexa-1,3-dien-1-yl)methyl]cyclohexa-2,4-dien-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxy-5,5-dimethylcyclohexa-1,3-dien-1-yl)methyl]cyclohexa-2,4-dien-1-one?
The IUPAC name of 6-[(4-methoxy-5,5-dimethylcyclohexa-1,3-dien-1-yl)methyl]cyclohexa-2,4-dien-1-one (CID 155676304) is 6-[(4-methoxy-5,5-dimethylcyclohexa-1,3-dien-1-yl)methyl]cyclohexa-2,4-dien-1-one.
What is the SMILES notation for 6-[(4-methoxy-5,5-dimethylcyclohexa-1,3-dien-1-yl)methyl]cyclohexa-2,4-dien-1-one?
The canonical SMILES for 6-[(4-methoxy-5,5-dimethylcyclohexa-1,3-dien-1-yl)methyl]cyclohexa-2,4-dien-1-one is COC1=CC=C(CC2C=CC=CC2=O)CC1(C)C.
What is the InChIKey of 6-[(4-methoxy-5,5-dimethylcyclohexa-1,3-dien-1-yl)methyl]cyclohexa-2,4-dien-1-one?
The InChIKey is RMBPIVLRSKVMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-16(2)11-12(8-9-15(16)18-3)10-13-6-4-5-7-14(13)17/h4-9,13H,10-11H2,1-3H3.
What are the key properties of 6-[(4-methoxy-5,5-dimethylcyclohexa-1,3-dien-1-yl)methyl]cyclohexa-2,4-dien-1-one?
6-[(4-methoxy-5,5-dimethylcyclohexa-1,3-dien-1-yl)methyl]cyclohexa-2,4-dien-1-one has a molecular weight of 244.33 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxy-5,5-dimethylcyclohexa-1,3-dien-1-yl)methyl]cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 155676304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).