2-hexyl-6-methoxy-3,4-dihydro-2H-chromen-4-ol

C16H24O3 — CID 114715401

IUPAC2-hexyl-6-methoxy-3,4-dihydro-2H-chromen-4-ol
SMILESCCCCCCC1CC(O)c2cc(OC)ccc2O1
InChIInChI=1S/C16H24O3/c1-3-4-5-6-7-13-11-15(17)14-10-12(18-2)8-9-16(14)19-13/h8-10,13,15,17H,3-7,11H2,1-2H3
InChIKeySNLNUENMIWZRSD-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.85
Rot. Bonds6

About 2-hexyl-6-methoxy-3,4-dihydro-2H-chromen-4-ol

2-hexyl-6-methoxy-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114715401) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-hexyl-6-methoxy-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name2-hexyl-6-methoxy-3,4-dihydro-2H-chromen-4-ol
PubChem CID114715401
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name2-hexyl-6-methoxy-3,4-dihydro-2H-chromen-4-ol
SMILESCCCCCCC1CC(O)c2cc(OC)ccc2O1
InChIInChI=1S/C16H24O3/c1-3-4-5-6-7-13-11-15(17)14-10-12(18-2)8-9-16(14)19-13/h8-10,13,15,17H,3-7,11H2,1-2H3
InChIKeySNLNUENMIWZRSD-UHFFFAOYSA-N
XLogP3.85
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hexyl-6-methoxy-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 2-hexyl-6-methoxy-3,4-dihydro-2H-chromen-4-ol (CID 114715401) is 2-hexyl-6-methoxy-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 2-hexyl-6-methoxy-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 2-hexyl-6-methoxy-3,4-dihydro-2H-chromen-4-ol is CCCCCCC1CC(O)c2cc(OC)ccc2O1.
What is the InChIKey of 2-hexyl-6-methoxy-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is SNLNUENMIWZRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-3-4-5-6-7-13-11-15(17)14-10-12(18-2)8-9-16(14)19-13/h8-10,13,15,17H,3-7,11H2,1-2H3.
What are the key properties of 2-hexyl-6-methoxy-3,4-dihydro-2H-chromen-4-ol?
2-hexyl-6-methoxy-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 264.37 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-6-methoxy-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114715401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).