4-hydroxy-5-(2-hydroxyethoxy)-3-pent-2-en-3-yloxychromen-2-one

C16H18O6 — CID 173205946

IUPAC4-hydroxy-5-(2-hydroxyethoxy)-3-pent-2-en-3-yloxychromen-2-one
SMILESCC=C(CC)Oc1c(O)c2c(OCCO)cccc2oc1=O
InChIInChI=1S/C16H18O6/c1-3-10(4-2)21-15-14(18)13-11(20-9-8-17)6-5-7-12(13)22-16(15)19/h3,5-7,17-18H,4,8-9H2,1-2H3
InChIKeyMPSWAEICOAZRCX-UHFFFAOYSA-N
MW306.31 g/mol
LogP2.56
Rot. Bonds6

About 4-hydroxy-5-(2-hydroxyethoxy)-3-pent-2-en-3-yloxychromen-2-one

4-hydroxy-5-(2-hydroxyethoxy)-3-pent-2-en-3-yloxychromen-2-one (PubChem CID 173205946) has the molecular formula C16H18O6 and a molecular weight of 306.31 g/mol. Its IUPAC name is 4-hydroxy-5-(2-hydroxyethoxy)-3-pent-2-en-3-yloxychromen-2-one.

Molecular Properties

Compound Name4-hydroxy-5-(2-hydroxyethoxy)-3-pent-2-en-3-yloxychromen-2-one
PubChem CID173205946
Molecular FormulaC16H18O6
Molecular Weight306.31 g/mol
Exact Mass306.11
IUPAC Name4-hydroxy-5-(2-hydroxyethoxy)-3-pent-2-en-3-yloxychromen-2-one
SMILESCC=C(CC)Oc1c(O)c2c(OCCO)cccc2oc1=O
InChIInChI=1S/C16H18O6/c1-3-10(4-2)21-15-14(18)13-11(20-9-8-17)6-5-7-12(13)22-16(15)19/h3,5-7,17-18H,4,8-9H2,1-2H3
InChIKeyMPSWAEICOAZRCX-UHFFFAOYSA-N
XLogP2.56
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(2-hydroxyethoxy)-3-pent-2-en-3-yloxychromen-2-one?
The IUPAC name of 4-hydroxy-5-(2-hydroxyethoxy)-3-pent-2-en-3-yloxychromen-2-one (CID 173205946) is 4-hydroxy-5-(2-hydroxyethoxy)-3-pent-2-en-3-yloxychromen-2-one.
What is the SMILES notation for 4-hydroxy-5-(2-hydroxyethoxy)-3-pent-2-en-3-yloxychromen-2-one?
The canonical SMILES for 4-hydroxy-5-(2-hydroxyethoxy)-3-pent-2-en-3-yloxychromen-2-one is CC=C(CC)Oc1c(O)c2c(OCCO)cccc2oc1=O.
What is the InChIKey of 4-hydroxy-5-(2-hydroxyethoxy)-3-pent-2-en-3-yloxychromen-2-one?
The InChIKey is MPSWAEICOAZRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O6/c1-3-10(4-2)21-15-14(18)13-11(20-9-8-17)6-5-7-12(13)22-16(15)19/h3,5-7,17-18H,4,8-9H2,1-2H3.
What are the key properties of 4-hydroxy-5-(2-hydroxyethoxy)-3-pent-2-en-3-yloxychromen-2-one?
4-hydroxy-5-(2-hydroxyethoxy)-3-pent-2-en-3-yloxychromen-2-one has a molecular weight of 306.31 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(2-hydroxyethoxy)-3-pent-2-en-3-yloxychromen-2-one is sourced from PubChem (CID 173205946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).