3-[(E)-hex-3-enoxy]-4-methoxy-5-propan-2-yloxychromen-2-one

C19H24O5 — CID 19929320

IUPAC3-[(E)-hex-3-enoxy]-4-methoxy-5-propan-2-yloxychromen-2-one
SMILESCC/C=C/CCOc1c(OC)c2c(OC(C)C)cccc2oc1=O
InChIInChI=1S/C19H24O5/c1-5-6-7-8-12-22-18-17(21-4)16-14(23-13(2)3)10-9-11-15(16)24-19(18)20/h6-7,9-11,13H,5,8,12H2,1-4H3/b7-6+
InChIKeyNBDQYSHOPDPHPT-VOTSOKGWSA-N
MW332.40 g/mol
LogP4.32
Rot. Bonds8

About 3-[(E)-hex-3-enoxy]-4-methoxy-5-propan-2-yloxychromen-2-one

3-[(E)-hex-3-enoxy]-4-methoxy-5-propan-2-yloxychromen-2-one (PubChem CID 19929320) has the molecular formula C19H24O5 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-[(E)-hex-3-enoxy]-4-methoxy-5-propan-2-yloxychromen-2-one.

Molecular Properties

Compound Name3-[(E)-hex-3-enoxy]-4-methoxy-5-propan-2-yloxychromen-2-one
PubChem CID19929320
Molecular FormulaC19H24O5
Molecular Weight332.40 g/mol
Exact Mass332.16
IUPAC Name3-[(E)-hex-3-enoxy]-4-methoxy-5-propan-2-yloxychromen-2-one
SMILESCC/C=C/CCOc1c(OC)c2c(OC(C)C)cccc2oc1=O
InChIInChI=1S/C19H24O5/c1-5-6-7-8-12-22-18-17(21-4)16-14(23-13(2)3)10-9-11-15(16)24-19(18)20/h6-7,9-11,13H,5,8,12H2,1-4H3/b7-6+
InChIKeyNBDQYSHOPDPHPT-VOTSOKGWSA-N
XLogP4.32
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-hex-3-enoxy]-4-methoxy-5-propan-2-yloxychromen-2-one?
The IUPAC name of 3-[(E)-hex-3-enoxy]-4-methoxy-5-propan-2-yloxychromen-2-one (CID 19929320) is 3-[(E)-hex-3-enoxy]-4-methoxy-5-propan-2-yloxychromen-2-one.
What is the SMILES notation for 3-[(E)-hex-3-enoxy]-4-methoxy-5-propan-2-yloxychromen-2-one?
The canonical SMILES for 3-[(E)-hex-3-enoxy]-4-methoxy-5-propan-2-yloxychromen-2-one is CC/C=C/CCOc1c(OC)c2c(OC(C)C)cccc2oc1=O.
What is the InChIKey of 3-[(E)-hex-3-enoxy]-4-methoxy-5-propan-2-yloxychromen-2-one?
The InChIKey is NBDQYSHOPDPHPT-VOTSOKGWSA-N. The full InChI is InChI=1S/C19H24O5/c1-5-6-7-8-12-22-18-17(21-4)16-14(23-13(2)3)10-9-11-15(16)24-19(18)20/h6-7,9-11,13H,5,8,12H2,1-4H3/b7-6+.
What are the key properties of 3-[(E)-hex-3-enoxy]-4-methoxy-5-propan-2-yloxychromen-2-one?
3-[(E)-hex-3-enoxy]-4-methoxy-5-propan-2-yloxychromen-2-one has a molecular weight of 332.40 g/mol, XLogP of 4.32, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-hex-3-enoxy]-4-methoxy-5-propan-2-yloxychromen-2-one is sourced from PubChem (CID 19929320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).