[1-(dimethoxymethyl)cyclohexa-2,4-dien-1-yl]oxybenzene

C15H18O3 — CID 68786800

IUPAC[1-(dimethoxymethyl)cyclohexa-2,4-dien-1-yl]oxybenzene
SMILESCOC(OC)C1(Oc2ccccc2)C=CC=CC1
InChIInChI=1S/C15H18O3/c1-16-14(17-2)15(11-7-4-8-12-15)18-13-9-5-3-6-10-13/h3-11,14H,12H2,1-2H3
InChIKeyNATPKYYVXMRWMQ-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.94
Rot. Bonds5

About [1-(dimethoxymethyl)cyclohexa-2,4-dien-1-yl]oxybenzene

[1-(dimethoxymethyl)cyclohexa-2,4-dien-1-yl]oxybenzene (PubChem CID 68786800) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is [1-(dimethoxymethyl)cyclohexa-2,4-dien-1-yl]oxybenzene.

Molecular Properties

Compound Name[1-(dimethoxymethyl)cyclohexa-2,4-dien-1-yl]oxybenzene
PubChem CID68786800
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name[1-(dimethoxymethyl)cyclohexa-2,4-dien-1-yl]oxybenzene
SMILESCOC(OC)C1(Oc2ccccc2)C=CC=CC1
InChIInChI=1S/C15H18O3/c1-16-14(17-2)15(11-7-4-8-12-15)18-13-9-5-3-6-10-13/h3-11,14H,12H2,1-2H3
InChIKeyNATPKYYVXMRWMQ-UHFFFAOYSA-N
XLogP2.94
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(dimethoxymethyl)cyclohexa-2,4-dien-1-yl]oxybenzene?
The IUPAC name of [1-(dimethoxymethyl)cyclohexa-2,4-dien-1-yl]oxybenzene (CID 68786800) is [1-(dimethoxymethyl)cyclohexa-2,4-dien-1-yl]oxybenzene.
What is the SMILES notation for [1-(dimethoxymethyl)cyclohexa-2,4-dien-1-yl]oxybenzene?
The canonical SMILES for [1-(dimethoxymethyl)cyclohexa-2,4-dien-1-yl]oxybenzene is COC(OC)C1(Oc2ccccc2)C=CC=CC1.
What is the InChIKey of [1-(dimethoxymethyl)cyclohexa-2,4-dien-1-yl]oxybenzene?
The InChIKey is NATPKYYVXMRWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-16-14(17-2)15(11-7-4-8-12-15)18-13-9-5-3-6-10-13/h3-11,14H,12H2,1-2H3.
What are the key properties of [1-(dimethoxymethyl)cyclohexa-2,4-dien-1-yl]oxybenzene?
[1-(dimethoxymethyl)cyclohexa-2,4-dien-1-yl]oxybenzene has a molecular weight of 246.31 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethoxymethyl)cyclohexa-2,4-dien-1-yl]oxybenzene is sourced from PubChem (CID 68786800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).