2,8-dimethyl-2-(4-methylpent-3-enyl)chromen-6-ol

C17H22O2 — CID 10244247

IUPAC2,8-dimethyl-2-(4-methylpent-3-enyl)chromen-6-ol
SMILESCC(C)=CCCC1(C)C=Cc2cc(O)cc(C)c2O1
InChIInChI=1S/C17H22O2/c1-12(2)6-5-8-17(4)9-7-14-11-15(18)10-13(3)16(14)19-17/h6-7,9-11,18H,5,8H2,1-4H3
InChIKeyOBBCGWKGCBJQIW-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.61
Rot. Bonds3

About 2,8-dimethyl-2-(4-methylpent-3-enyl)chromen-6-ol

2,8-dimethyl-2-(4-methylpent-3-enyl)chromen-6-ol (PubChem CID 10244247) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2,8-dimethyl-2-(4-methylpent-3-enyl)chromen-6-ol.

Molecular Properties

Compound Name2,8-dimethyl-2-(4-methylpent-3-enyl)chromen-6-ol
PubChem CID10244247
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name2,8-dimethyl-2-(4-methylpent-3-enyl)chromen-6-ol
SMILESCC(C)=CCCC1(C)C=Cc2cc(O)cc(C)c2O1
InChIInChI=1S/C17H22O2/c1-12(2)6-5-8-17(4)9-7-14-11-15(18)10-13(3)16(14)19-17/h6-7,9-11,18H,5,8H2,1-4H3
InChIKeyOBBCGWKGCBJQIW-UHFFFAOYSA-N
XLogP4.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.61
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 2,8-dimethyl-2-(4-methylpent-3-enyl)chromen-6-ol?
The IUPAC name of 2,8-dimethyl-2-(4-methylpent-3-enyl)chromen-6-ol (CID 10244247) is 2,8-dimethyl-2-(4-methylpent-3-enyl)chromen-6-ol.
What is the SMILES notation for 2,8-dimethyl-2-(4-methylpent-3-enyl)chromen-6-ol?
The canonical SMILES for 2,8-dimethyl-2-(4-methylpent-3-enyl)chromen-6-ol is CC(C)=CCCC1(C)C=Cc2cc(O)cc(C)c2O1.
What is the InChIKey of 2,8-dimethyl-2-(4-methylpent-3-enyl)chromen-6-ol?
The InChIKey is OBBCGWKGCBJQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c1-12(2)6-5-8-17(4)9-7-14-11-15(18)10-13(3)16(14)19-17/h6-7,9-11,18H,5,8H2,1-4H3.
What are the key properties of 2,8-dimethyl-2-(4-methylpent-3-enyl)chromen-6-ol?
2,8-dimethyl-2-(4-methylpent-3-enyl)chromen-6-ol has a molecular weight of 258.36 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-2-(4-methylpent-3-enyl)chromen-6-ol is sourced from PubChem (CID 10244247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).