4-(6-ethyl-4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-7-yl)benzaldehyde

C20H22O3 — CID 144765187

IUPAC4-(6-ethyl-4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-7-yl)benzaldehyde
SMILESCCc1cc2c(cc1-c1ccc(C=O)cc1)OC(C)(C)CC2O
InChIInChI=1S/C20H22O3/c1-4-14-9-17-18(22)11-20(2,3)23-19(17)10-16(14)15-7-5-13(12-21)6-8-15/h5-10,12,18,22H,4,11H2,1-3H3
InChIKeyOVUIKGNTBOGLDG-UHFFFAOYSA-N
MW310.39 g/mol
LogP4.32
Rot. Bonds3

About 4-(6-ethyl-4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-7-yl)benzaldehyde

4-(6-ethyl-4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-7-yl)benzaldehyde (PubChem CID 144765187) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is 4-(6-ethyl-4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-7-yl)benzaldehyde.

Molecular Properties

Compound Name4-(6-ethyl-4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-7-yl)benzaldehyde
PubChem CID144765187
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Name4-(6-ethyl-4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-7-yl)benzaldehyde
SMILESCCc1cc2c(cc1-c1ccc(C=O)cc1)OC(C)(C)CC2O
InChIInChI=1S/C20H22O3/c1-4-14-9-17-18(22)11-20(2,3)23-19(17)10-16(14)15-7-5-13(12-21)6-8-15/h5-10,12,18,22H,4,11H2,1-3H3
InChIKeyOVUIKGNTBOGLDG-UHFFFAOYSA-N
XLogP4.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(6-ethyl-4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-7-yl)benzaldehyde?
The IUPAC name of 4-(6-ethyl-4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-7-yl)benzaldehyde (CID 144765187) is 4-(6-ethyl-4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-7-yl)benzaldehyde.
What is the SMILES notation for 4-(6-ethyl-4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-7-yl)benzaldehyde?
The canonical SMILES for 4-(6-ethyl-4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-7-yl)benzaldehyde is CCc1cc2c(cc1-c1ccc(C=O)cc1)OC(C)(C)CC2O.
What is the InChIKey of 4-(6-ethyl-4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-7-yl)benzaldehyde?
The InChIKey is OVUIKGNTBOGLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O3/c1-4-14-9-17-18(22)11-20(2,3)23-19(17)10-16(14)15-7-5-13(12-21)6-8-15/h5-10,12,18,22H,4,11H2,1-3H3.
What are the key properties of 4-(6-ethyl-4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-7-yl)benzaldehyde?
4-(6-ethyl-4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-7-yl)benzaldehyde has a molecular weight of 310.39 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethyl-4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-7-yl)benzaldehyde is sourced from PubChem (CID 144765187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).