2,3-dihydroxy-4-(3-methoxy-2-methylphenyl)cyclopentane-1-carbaldehyde

C14H18O4 — CID 142988660

IUPAC2,3-dihydroxy-4-(3-methoxy-2-methylphenyl)cyclopentane-1-carbaldehyde
SMILESCOc1cccc(C2CC(C=O)C(O)C2O)c1C
InChIInChI=1S/C14H18O4/c1-8-10(4-3-5-12(8)18-2)11-6-9(7-15)13(16)14(11)17/h3-5,7,9,11,13-14,16-17H,6H2,1-2H3
InChIKeyJWPKJJOMWALAFV-UHFFFAOYSA-N
MW250.29 g/mol
LogP1.03
Rot. Bonds3

About 2,3-dihydroxy-4-(3-methoxy-2-methylphenyl)cyclopentane-1-carbaldehyde

2,3-dihydroxy-4-(3-methoxy-2-methylphenyl)cyclopentane-1-carbaldehyde (PubChem CID 142988660) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is 2,3-dihydroxy-4-(3-methoxy-2-methylphenyl)cyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name2,3-dihydroxy-4-(3-methoxy-2-methylphenyl)cyclopentane-1-carbaldehyde
PubChem CID142988660
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name2,3-dihydroxy-4-(3-methoxy-2-methylphenyl)cyclopentane-1-carbaldehyde
SMILESCOc1cccc(C2CC(C=O)C(O)C2O)c1C
InChIInChI=1S/C14H18O4/c1-8-10(4-3-5-12(8)18-2)11-6-9(7-15)13(16)14(11)17/h3-5,7,9,11,13-14,16-17H,6H2,1-2H3
InChIKeyJWPKJJOMWALAFV-UHFFFAOYSA-N
XLogP1.03
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-4-(3-methoxy-2-methylphenyl)cyclopentane-1-carbaldehyde?
The IUPAC name of 2,3-dihydroxy-4-(3-methoxy-2-methylphenyl)cyclopentane-1-carbaldehyde (CID 142988660) is 2,3-dihydroxy-4-(3-methoxy-2-methylphenyl)cyclopentane-1-carbaldehyde.
What is the SMILES notation for 2,3-dihydroxy-4-(3-methoxy-2-methylphenyl)cyclopentane-1-carbaldehyde?
The canonical SMILES for 2,3-dihydroxy-4-(3-methoxy-2-methylphenyl)cyclopentane-1-carbaldehyde is COc1cccc(C2CC(C=O)C(O)C2O)c1C.
What is the InChIKey of 2,3-dihydroxy-4-(3-methoxy-2-methylphenyl)cyclopentane-1-carbaldehyde?
The InChIKey is JWPKJJOMWALAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-8-10(4-3-5-12(8)18-2)11-6-9(7-15)13(16)14(11)17/h3-5,7,9,11,13-14,16-17H,6H2,1-2H3.
What are the key properties of 2,3-dihydroxy-4-(3-methoxy-2-methylphenyl)cyclopentane-1-carbaldehyde?
2,3-dihydroxy-4-(3-methoxy-2-methylphenyl)cyclopentane-1-carbaldehyde has a molecular weight of 250.29 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-4-(3-methoxy-2-methylphenyl)cyclopentane-1-carbaldehyde is sourced from PubChem (CID 142988660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).