2-methyl-2-(4-methylpent-3-enyl)-7-propyl-3,4-dihydrochromen-5-ol

C19H28O2 — CID 142555224

IUPAC2-methyl-2-(4-methylpent-3-enyl)-7-propyl-3,4-dihydrochromen-5-ol
SMILESCCCc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)CC2
InChIInChI=1S/C19H28O2/c1-5-7-15-12-17(20)16-9-11-19(4,21-18(16)13-15)10-6-8-14(2)3/h8,12-13,20H,5-7,9-11H2,1-4H3
InChIKeyDFJQDSHPYZAGQZ-UHFFFAOYSA-N
MW288.43 g/mol
LogP5.17
Rot. Bonds5

About 2-methyl-2-(4-methylpent-3-enyl)-7-propyl-3,4-dihydrochromen-5-ol

2-methyl-2-(4-methylpent-3-enyl)-7-propyl-3,4-dihydrochromen-5-ol (PubChem CID 142555224) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 2-methyl-2-(4-methylpent-3-enyl)-7-propyl-3,4-dihydrochromen-5-ol.

Molecular Properties

Compound Name2-methyl-2-(4-methylpent-3-enyl)-7-propyl-3,4-dihydrochromen-5-ol
PubChem CID142555224
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name2-methyl-2-(4-methylpent-3-enyl)-7-propyl-3,4-dihydrochromen-5-ol
SMILESCCCc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)CC2
InChIInChI=1S/C19H28O2/c1-5-7-15-12-17(20)16-9-11-19(4,21-18(16)13-15)10-6-8-14(2)3/h8,12-13,20H,5-7,9-11H2,1-4H3
InChIKeyDFJQDSHPYZAGQZ-UHFFFAOYSA-N
XLogP5.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.43
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-methylpent-3-enyl)-7-propyl-3,4-dihydrochromen-5-ol?
The IUPAC name of 2-methyl-2-(4-methylpent-3-enyl)-7-propyl-3,4-dihydrochromen-5-ol (CID 142555224) is 2-methyl-2-(4-methylpent-3-enyl)-7-propyl-3,4-dihydrochromen-5-ol.
What is the SMILES notation for 2-methyl-2-(4-methylpent-3-enyl)-7-propyl-3,4-dihydrochromen-5-ol?
The canonical SMILES for 2-methyl-2-(4-methylpent-3-enyl)-7-propyl-3,4-dihydrochromen-5-ol is CCCc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)CC2.
What is the InChIKey of 2-methyl-2-(4-methylpent-3-enyl)-7-propyl-3,4-dihydrochromen-5-ol?
The InChIKey is DFJQDSHPYZAGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2/c1-5-7-15-12-17(20)16-9-11-19(4,21-18(16)13-15)10-6-8-14(2)3/h8,12-13,20H,5-7,9-11H2,1-4H3.
What are the key properties of 2-methyl-2-(4-methylpent-3-enyl)-7-propyl-3,4-dihydrochromen-5-ol?
2-methyl-2-(4-methylpent-3-enyl)-7-propyl-3,4-dihydrochromen-5-ol has a molecular weight of 288.43 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-methylpent-3-enyl)-7-propyl-3,4-dihydrochromen-5-ol is sourced from PubChem (CID 142555224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).