(4R)-2-heptyl-7-methoxy-3,4-dihydro-2H-chromen-4-ol

C17H26O3 — CID 104948552

IUPAC(4R)-2-heptyl-7-methoxy-3,4-dihydro-2H-chromen-4-ol
SMILESCCCCCCCC1C[C@@H](O)c2ccc(OC)cc2O1
InChIInChI=1S/C17H26O3/c1-3-4-5-6-7-8-14-11-16(18)15-10-9-13(19-2)12-17(15)20-14/h9-10,12,14,16,18H,3-8,11H2,1-2H3/t14?,16-/m1/s1
InChIKeyDKRRSDRVSVNUAA-BZSJEYESSA-N
MW278.39 g/mol
LogP4.24
Rot. Bonds7

About (4R)-2-heptyl-7-methoxy-3,4-dihydro-2H-chromen-4-ol

(4R)-2-heptyl-7-methoxy-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104948552) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is (4R)-2-heptyl-7-methoxy-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4R)-2-heptyl-7-methoxy-3,4-dihydro-2H-chromen-4-ol
PubChem CID104948552
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name(4R)-2-heptyl-7-methoxy-3,4-dihydro-2H-chromen-4-ol
SMILESCCCCCCCC1C[C@@H](O)c2ccc(OC)cc2O1
InChIInChI=1S/C17H26O3/c1-3-4-5-6-7-8-14-11-16(18)15-10-9-13(19-2)12-17(15)20-14/h9-10,12,14,16,18H,3-8,11H2,1-2H3/t14?,16-/m1/s1
InChIKeyDKRRSDRVSVNUAA-BZSJEYESSA-N
XLogP4.24
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 54.24
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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Related Compounds

(4R)-2-heptyl-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104950983
2-hexyl-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114715401
7-methoxy-2-propyl-3,4-dihydro-2H-chromen-4-ol
CID 114714331
(4R)-2-hexyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944789
2-(2-ethylsulfanylethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114714249
(4R)-2-heptyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104946961
N-ethyl-2-hexyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114713035
(4S)-6-fluoro-2-heptyl-3,4-dihydro-2H-chromen-4-ol
CID 104948110
6-fluoro-2-pentyl-3,4-dihydro-2H-chromen-4-ol
CID 114714011
(4S)-2-butyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104946892
9-hexyl-3,6-dimethoxy-9H-xanthene
CID 71740306
N-ethyl-7-methoxy-2-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114711038

Frequently Asked Questions

What is the IUPAC name of (4R)-2-heptyl-7-methoxy-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4R)-2-heptyl-7-methoxy-3,4-dihydro-2H-chromen-4-ol (CID 104948552) is (4R)-2-heptyl-7-methoxy-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4R)-2-heptyl-7-methoxy-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4R)-2-heptyl-7-methoxy-3,4-dihydro-2H-chromen-4-ol is CCCCCCCC1C[C@@H](O)c2ccc(OC)cc2O1.
What is the InChIKey of (4R)-2-heptyl-7-methoxy-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is DKRRSDRVSVNUAA-BZSJEYESSA-N. The full InChI is InChI=1S/C17H26O3/c1-3-4-5-6-7-8-14-11-16(18)15-10-9-13(19-2)12-17(15)20-14/h9-10,12,14,16,18H,3-8,11H2,1-2H3/t14?,16-/m1/s1.
What are the key properties of (4R)-2-heptyl-7-methoxy-3,4-dihydro-2H-chromen-4-ol?
(4R)-2-heptyl-7-methoxy-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 278.39 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-heptyl-7-methoxy-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104948552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).