4-[(4-methoxyphenyl)methoxymethyl]-4-methyl-2-prop-1-en-2-ylcyclopentene-1-carbaldehyde

C19H24O3 — CID 135011751

IUPAC4-[(4-methoxyphenyl)methoxymethyl]-4-methyl-2-prop-1-en-2-ylcyclopentene-1-carbaldehyde
SMILESC=C(C)C1=C(C=O)CC(C)(COCc2ccc(OC)cc2)C1
InChIInChI=1S/C19H24O3/c1-14(2)18-10-19(3,9-16(18)11-20)13-22-12-15-5-7-17(21-4)8-6-15/h5-8,11H,1,9-10,12-13H2,2-4H3
InChIKeyVJJMSOURZIWKFU-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.08
Rot. Bonds7

About 4-[(4-methoxyphenyl)methoxymethyl]-4-methyl-2-prop-1-en-2-ylcyclopentene-1-carbaldehyde

4-[(4-methoxyphenyl)methoxymethyl]-4-methyl-2-prop-1-en-2-ylcyclopentene-1-carbaldehyde (PubChem CID 135011751) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methoxymethyl]-4-methyl-2-prop-1-en-2-ylcyclopentene-1-carbaldehyde.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methoxymethyl]-4-methyl-2-prop-1-en-2-ylcyclopentene-1-carbaldehyde
PubChem CID135011751
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Name4-[(4-methoxyphenyl)methoxymethyl]-4-methyl-2-prop-1-en-2-ylcyclopentene-1-carbaldehyde
SMILESC=C(C)C1=C(C=O)CC(C)(COCc2ccc(OC)cc2)C1
InChIInChI=1S/C19H24O3/c1-14(2)18-10-19(3,9-16(18)11-20)13-22-12-15-5-7-17(21-4)8-6-15/h5-8,11H,1,9-10,12-13H2,2-4H3
InChIKeyVJJMSOURZIWKFU-UHFFFAOYSA-N
XLogP4.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-[(4-methoxyphenyl)methoxy]-3-methylbut-2-enal
CID 101450016
1-(2-chloroprop-2-enoxymethyl)-4-methoxybenzene
CID 10798623
(1S,2R,3R,4S,5S,6R)-3-[(4-methoxyphenyl)methoxy]-4,5,6-tris(prop-2-enoxy)cyclohexane-1,2-diol
CID 10502229
1-[[(E)-but-2-en-2-yl]oxymethyl]-4-methoxybenzene
CID 145479406
1-methoxy-4-[[(E)-4-[(4-methoxyphenyl)methoxy]but-2-enoxy]methyl]benzene
CID 14814212
(3R,4S,5R)-3-ethenyl-4-hydroxy-5-[(4-methoxyphenyl)methoxymethyl]-3-methyloxolan-2-one
CID 134352834
1-(ethylsulfanylmethoxymethyl)-4-methoxybenzene
CID 101098323
(1S,2R,4S,5S)-6-[(4-methoxyphenyl)methoxy]cyclohexane-1,2,3,4,5-pentol
CID 91096427
1-methoxy-4-[[(2R)-2-methylpent-3-enoxy]methyl]benzene
CID 71377965
(2R,3R,4R)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal
CID 10491992
2-[(4-methoxyphenyl)methoxymethyl]-1,3-oxazole-4-carbaldehyde
CID 10944748
(Z)-5-[(4-methoxyphenyl)methoxy]-4-methylpent-2-enal
CID 10657341

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methoxymethyl]-4-methyl-2-prop-1-en-2-ylcyclopentene-1-carbaldehyde?
The IUPAC name of 4-[(4-methoxyphenyl)methoxymethyl]-4-methyl-2-prop-1-en-2-ylcyclopentene-1-carbaldehyde (CID 135011751) is 4-[(4-methoxyphenyl)methoxymethyl]-4-methyl-2-prop-1-en-2-ylcyclopentene-1-carbaldehyde.
What is the SMILES notation for 4-[(4-methoxyphenyl)methoxymethyl]-4-methyl-2-prop-1-en-2-ylcyclopentene-1-carbaldehyde?
The canonical SMILES for 4-[(4-methoxyphenyl)methoxymethyl]-4-methyl-2-prop-1-en-2-ylcyclopentene-1-carbaldehyde is C=C(C)C1=C(C=O)CC(C)(COCc2ccc(OC)cc2)C1.
What is the InChIKey of 4-[(4-methoxyphenyl)methoxymethyl]-4-methyl-2-prop-1-en-2-ylcyclopentene-1-carbaldehyde?
The InChIKey is VJJMSOURZIWKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O3/c1-14(2)18-10-19(3,9-16(18)11-20)13-22-12-15-5-7-17(21-4)8-6-15/h5-8,11H,1,9-10,12-13H2,2-4H3.
What are the key properties of 4-[(4-methoxyphenyl)methoxymethyl]-4-methyl-2-prop-1-en-2-ylcyclopentene-1-carbaldehyde?
4-[(4-methoxyphenyl)methoxymethyl]-4-methyl-2-prop-1-en-2-ylcyclopentene-1-carbaldehyde has a molecular weight of 300.40 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methoxymethyl]-4-methyl-2-prop-1-en-2-ylcyclopentene-1-carbaldehyde is sourced from PubChem (CID 135011751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).