2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylacetaldehyde

C20H22O3 — CID 102162287

IUPAC2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylacetaldehyde
SMILESCOc1ccc(C(C=O)c2ccccc2)cc1OC1CCCC1
InChIInChI=1S/C20H22O3/c1-22-19-12-11-16(13-20(19)23-17-9-5-6-10-17)18(14-21)15-7-3-2-4-8-15/h2-4,7-8,11-14,17-18H,5-6,9-10H2,1H3
InChIKeyQFHMBAWCSDWIIR-UHFFFAOYSA-N
MW310.39 g/mol
LogP4.35
Rot. Bonds6

About 2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylacetaldehyde

2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylacetaldehyde (PubChem CID 102162287) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is 2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylacetaldehyde.

Molecular Properties

Compound Name2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylacetaldehyde
PubChem CID102162287
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Name2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylacetaldehyde
SMILESCOc1ccc(C(C=O)c2ccccc2)cc1OC1CCCC1
InChIInChI=1S/C20H22O3/c1-22-19-12-11-16(13-20(19)23-17-9-5-6-10-17)18(14-21)15-7-3-2-4-8-15/h2-4,7-8,11-14,17-18H,5-6,9-10H2,1H3
InChIKeyQFHMBAWCSDWIIR-UHFFFAOYSA-N
XLogP4.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.35
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

2-(3-cyclobutyloxy-4-methoxyphenyl)propanoic acid
CID 117378818
3-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenyl-4-pyridin-4-ylbutanoic acid
CID 67654163
2-cyclopentyloxy-1-methoxy-4-(1-phenylmethoxyethyl)benzene
CID 57236952
2-amino-2-(4-cyclopentyloxy-3-methoxyphenyl)acetic acid
CID 77129521
(2S)-2-amino-2-(4-cyclopentyloxy-3-methoxyphenyl)acetic acid
CID 66513349
benzamide;3-cyclopentyloxy-4-methoxybenzamide
CID 18691056
1-(4-cyclopentyloxy-3-methoxyphenyl)ethanol
CID 43503851
(1R)-1-(4-cyclopentyloxy-3-methoxyphenyl)ethanamine
CID 30119294
3-(3-cyclopentyloxy-4-methoxyphenyl)-N,N-dimethyl-5-phenylpent-4-ynamide
CID 54555142
2-cyclopentyloxy-1-methoxy-4-methylbenzene;ethane
CID 142884364
2-cyclopentyloxy-4-iodo-1-methoxybenzene
CID 11197924
N-[2-(3-cyclopentyloxy-4-methoxyphenyl)propyl]acetamide
CID 142072683

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylacetaldehyde?
The IUPAC name of 2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylacetaldehyde (CID 102162287) is 2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylacetaldehyde.
What is the SMILES notation for 2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylacetaldehyde?
The canonical SMILES for 2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylacetaldehyde is COc1ccc(C(C=O)c2ccccc2)cc1OC1CCCC1.
What is the InChIKey of 2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylacetaldehyde?
The InChIKey is QFHMBAWCSDWIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O3/c1-22-19-12-11-16(13-20(19)23-17-9-5-6-10-17)18(14-21)15-7-3-2-4-8-15/h2-4,7-8,11-14,17-18H,5-6,9-10H2,1H3.
What are the key properties of 2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylacetaldehyde?
2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylacetaldehyde has a molecular weight of 310.39 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylacetaldehyde is sourced from PubChem (CID 102162287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).