2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromene-4,6-diol

C16H22O3 — CID 155554322

IUPAC2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromene-4,6-diol
SMILESCC(C)=CCCC1(C)CC(O)c2cc(O)ccc2O1
InChIInChI=1S/C16H22O3/c1-11(2)5-4-8-16(3)10-14(18)13-9-12(17)6-7-15(13)19-16/h5-7,9,14,17-18H,4,8,10H2,1-3H3
InChIKeyFNLNSHQXHPOIHX-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.71
Rot. Bonds3

About 2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromene-4,6-diol

2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromene-4,6-diol (PubChem CID 155554322) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromene-4,6-diol.

Molecular Properties

Compound Name2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromene-4,6-diol
PubChem CID155554322
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromene-4,6-diol
SMILESCC(C)=CCCC1(C)CC(O)c2cc(O)ccc2O1
InChIInChI=1S/C16H22O3/c1-11(2)5-4-8-16(3)10-14(18)13-9-12(17)6-7-15(13)19-16/h5-7,9,14,17-18H,4,8,10H2,1-3H3
InChIKeyFNLNSHQXHPOIHX-UHFFFAOYSA-N
XLogP3.71
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)-3,4-dihydrochromene-4,6-diol?
The IUPAC name of 2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromene-4,6-diol (CID 155554322) is 2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromene-4,6-diol.
What is the SMILES notation for 2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromene-4,6-diol?
The canonical SMILES for 2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromene-4,6-diol is CC(C)=CCCC1(C)CC(O)c2cc(O)ccc2O1.
What is the InChIKey of 2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromene-4,6-diol?
The InChIKey is FNLNSHQXHPOIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-11(2)5-4-8-16(3)10-14(18)13-9-12(17)6-7-15(13)19-16/h5-7,9,14,17-18H,4,8,10H2,1-3H3.
What are the key properties of 2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromene-4,6-diol?
2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromene-4,6-diol has a molecular weight of 262.35 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromene-4,6-diol is sourced from PubChem (CID 155554322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).