7-prop-1-ynoxychromen-2-one

C12H8O3 — CID 125495534

IUPAC7-prop-1-ynoxychromen-2-one
SMILESCC#COc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C12H8O3/c1-2-7-14-10-5-3-9-4-6-12(13)15-11(9)8-10/h3-6,8H,1H3
InChIKeyMMZDKUKCWDHDPW-UHFFFAOYSA-N
MW200.19 g/mol
LogP2.15
Rot. Bonds1

About 7-prop-1-ynoxychromen-2-one

7-prop-1-ynoxychromen-2-one (PubChem CID 125495534) has the molecular formula C12H8O3 and a molecular weight of 200.19 g/mol. Its IUPAC name is 7-prop-1-ynoxychromen-2-one.

Molecular Properties

Compound Name7-prop-1-ynoxychromen-2-one
PubChem CID125495534
Molecular FormulaC12H8O3
Molecular Weight200.19 g/mol
Exact Mass200.05
IUPAC Name7-prop-1-ynoxychromen-2-one
SMILESCC#COc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C12H8O3/c1-2-7-14-10-5-3-9-4-6-12(13)15-11(9)8-10/h3-6,8H,1H3
InChIKeyMMZDKUKCWDHDPW-UHFFFAOYSA-N
XLogP2.15
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-ethynoxychromen-2-one
CID 167427809
(2-oxochromen-7-yl) hypoiodite
CID 138751183
7-[2-(3,4-dimethylphenoxy)ethoxy]chromen-2-one
CID 2384022
(2-oxochromen-7-yl) 2-methylpropanoate
CID 10966364
7-[2-(4-propoxyphenoxy)ethoxy]chromen-2-one
CID 112775413
7-aminochromen-2-one;ethane
CID 166456004
7-(2-methylprop-2-enoxy)chromen-2-one
CID 875202
7-[(4-methoxyphenyl)methoxy]chromen-2-one
CID 2906140
potassium (2-oxochromen-7-yl) sulfate
CID 46781774
7-(2-aminoethoxy)chromen-2-one
CID 82506816
(2-oxochromen-7-yl) butanoate
CID 781717
7-(4-methylhexan-3-yloxy)chromen-2-one
CID 71536673

Frequently Asked Questions

What is the IUPAC name of 7-prop-1-ynoxychromen-2-one?
The IUPAC name of 7-prop-1-ynoxychromen-2-one (CID 125495534) is 7-prop-1-ynoxychromen-2-one.
What is the SMILES notation for 7-prop-1-ynoxychromen-2-one?
The canonical SMILES for 7-prop-1-ynoxychromen-2-one is CC#COc1ccc2ccc(=O)oc2c1.
What is the InChIKey of 7-prop-1-ynoxychromen-2-one?
The InChIKey is MMZDKUKCWDHDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O3/c1-2-7-14-10-5-3-9-4-6-12(13)15-11(9)8-10/h3-6,8H,1H3.
What are the key properties of 7-prop-1-ynoxychromen-2-one?
7-prop-1-ynoxychromen-2-one has a molecular weight of 200.19 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-prop-1-ynoxychromen-2-one is sourced from PubChem (CID 125495534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).