2-(4-methylcyclohexa-1,3-dien-1-yl)oxybenzaldehyde

C14H14O2 — CID 91547146

IUPAC2-(4-methylcyclohexa-1,3-dien-1-yl)oxybenzaldehyde
SMILESCC1=CC=C(Oc2ccccc2C=O)CC1
InChIInChI=1S/C14H14O2/c1-11-6-8-13(9-7-11)16-14-5-3-2-4-12(14)10-15/h2-6,8,10H,7,9H2,1H3
InChIKeyGCTVTCQVRWKGMG-UHFFFAOYSA-N
MW214.26 g/mol
LogP3.50
Rot. Bonds3

About 2-(4-methylcyclohexa-1,3-dien-1-yl)oxybenzaldehyde

2-(4-methylcyclohexa-1,3-dien-1-yl)oxybenzaldehyde (PubChem CID 91547146) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-(4-methylcyclohexa-1,3-dien-1-yl)oxybenzaldehyde.

Molecular Properties

Compound Name2-(4-methylcyclohexa-1,3-dien-1-yl)oxybenzaldehyde
PubChem CID91547146
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name2-(4-methylcyclohexa-1,3-dien-1-yl)oxybenzaldehyde
SMILESCC1=CC=C(Oc2ccccc2C=O)CC1
InChIInChI=1S/C14H14O2/c1-11-6-8-13(9-7-11)16-14-5-3-2-4-12(14)10-15/h2-6,8,10H,7,9H2,1H3
InChIKeyGCTVTCQVRWKGMG-UHFFFAOYSA-N
XLogP3.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexa-1,3-dien-1-yl)oxybenzaldehyde?
The IUPAC name of 2-(4-methylcyclohexa-1,3-dien-1-yl)oxybenzaldehyde (CID 91547146) is 2-(4-methylcyclohexa-1,3-dien-1-yl)oxybenzaldehyde.
What is the SMILES notation for 2-(4-methylcyclohexa-1,3-dien-1-yl)oxybenzaldehyde?
The canonical SMILES for 2-(4-methylcyclohexa-1,3-dien-1-yl)oxybenzaldehyde is CC1=CC=C(Oc2ccccc2C=O)CC1.
What is the InChIKey of 2-(4-methylcyclohexa-1,3-dien-1-yl)oxybenzaldehyde?
The InChIKey is GCTVTCQVRWKGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c1-11-6-8-13(9-7-11)16-14-5-3-2-4-12(14)10-15/h2-6,8,10H,7,9H2,1H3.
What are the key properties of 2-(4-methylcyclohexa-1,3-dien-1-yl)oxybenzaldehyde?
2-(4-methylcyclohexa-1,3-dien-1-yl)oxybenzaldehyde has a molecular weight of 214.26 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexa-1,3-dien-1-yl)oxybenzaldehyde is sourced from PubChem (CID 91547146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).