(3Z)-8-methoxy-3-nonylidene-4H-chromen-2-one

C19H26O3 — CID 101133445

IUPAC(3Z)-8-methoxy-3-nonylidene-4H-chromen-2-one
SMILESCCCCCCCC/C=C1/Cc2cccc(OC)c2OC1=O
InChIInChI=1S/C19H26O3/c1-3-4-5-6-7-8-9-11-16-14-15-12-10-13-17(21-2)18(15)22-19(16)20/h10-13H,3-9,14H2,1-2H3/b16-11-
InChIKeyXBDTVTFAWGALRG-WJDWOHSUSA-N
MW302.41 g/mol
LogP4.83
Rot. Bonds8

About (3Z)-8-methoxy-3-nonylidene-4H-chromen-2-one

(3Z)-8-methoxy-3-nonylidene-4H-chromen-2-one (PubChem CID 101133445) has the molecular formula C19H26O3 and a molecular weight of 302.41 g/mol. Its IUPAC name is (3Z)-8-methoxy-3-nonylidene-4H-chromen-2-one.

Molecular Properties

Compound Name(3Z)-8-methoxy-3-nonylidene-4H-chromen-2-one
PubChem CID101133445
Molecular FormulaC19H26O3
Molecular Weight302.41 g/mol
Exact Mass302.19
IUPAC Name(3Z)-8-methoxy-3-nonylidene-4H-chromen-2-one
SMILESCCCCCCCC/C=C1/Cc2cccc(OC)c2OC1=O
InChIInChI=1S/C19H26O3/c1-3-4-5-6-7-8-9-11-16-14-15-12-10-13-17(21-2)18(15)22-19(16)20/h10-13H,3-9,14H2,1-2H3/b16-11-
InChIKeyXBDTVTFAWGALRG-WJDWOHSUSA-N
XLogP4.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

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CID 101133440
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(2E)-2-octylidenecyclohexan-1-one
CID 6441359
(2Z)-2-octylidenecyclopentan-1-one
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Frequently Asked Questions

What is the IUPAC name of (3Z)-8-methoxy-3-nonylidene-4H-chromen-2-one?
The IUPAC name of (3Z)-8-methoxy-3-nonylidene-4H-chromen-2-one (CID 101133445) is (3Z)-8-methoxy-3-nonylidene-4H-chromen-2-one.
What is the SMILES notation for (3Z)-8-methoxy-3-nonylidene-4H-chromen-2-one?
The canonical SMILES for (3Z)-8-methoxy-3-nonylidene-4H-chromen-2-one is CCCCCCCC/C=C1/Cc2cccc(OC)c2OC1=O.
What is the InChIKey of (3Z)-8-methoxy-3-nonylidene-4H-chromen-2-one?
The InChIKey is XBDTVTFAWGALRG-WJDWOHSUSA-N. The full InChI is InChI=1S/C19H26O3/c1-3-4-5-6-7-8-9-11-16-14-15-12-10-13-17(21-2)18(15)22-19(16)20/h10-13H,3-9,14H2,1-2H3/b16-11-.
What are the key properties of (3Z)-8-methoxy-3-nonylidene-4H-chromen-2-one?
(3Z)-8-methoxy-3-nonylidene-4H-chromen-2-one has a molecular weight of 302.41 g/mol, XLogP of 4.83, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-8-methoxy-3-nonylidene-4H-chromen-2-one is sourced from PubChem (CID 101133445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).