7-[2-[(4R)-2-ethenyl-4-methylcyclopentyl]ethoxy]chromen-2-one

C19H22O3 — CID 90155511

IUPAC7-[2-[(4R)-2-ethenyl-4-methylcyclopentyl]ethoxy]chromen-2-one
SMILESC=CC1C[C@H](C)CC1CCOc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C19H22O3/c1-3-14-10-13(2)11-16(14)8-9-21-17-6-4-15-5-7-19(20)22-18(15)12-17/h3-7,12-14,16H,1,8-11H2,2H3/t13-,14?,16?/m0/s1
InChIKeyGNIYKJNXSOGHAZ-HLIUYOAVSA-N
MW298.38 g/mol
LogP4.41
Rot. Bonds5

About 7-[2-[(4R)-2-ethenyl-4-methylcyclopentyl]ethoxy]chromen-2-one

7-[2-[(4R)-2-ethenyl-4-methylcyclopentyl]ethoxy]chromen-2-one (PubChem CID 90155511) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 7-[2-[(4R)-2-ethenyl-4-methylcyclopentyl]ethoxy]chromen-2-one.

Molecular Properties

Compound Name7-[2-[(4R)-2-ethenyl-4-methylcyclopentyl]ethoxy]chromen-2-one
PubChem CID90155511
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name7-[2-[(4R)-2-ethenyl-4-methylcyclopentyl]ethoxy]chromen-2-one
SMILESC=CC1C[C@H](C)CC1CCOc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C19H22O3/c1-3-14-10-13(2)11-16(14)8-9-21-17-6-4-15-5-7-19(20)22-18(15)12-17/h3-7,12-14,16H,1,8-11H2,2H3/t13-,14?,16?/m0/s1
InChIKeyGNIYKJNXSOGHAZ-HLIUYOAVSA-N
XLogP4.41
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethoxy]chromen-2-one
CID 58868616
7-[2-(3,4-dimethylphenoxy)ethoxy]chromen-2-one
CID 2384022
7-[2-(4-propoxyphenoxy)ethoxy]chromen-2-one
CID 112775413
7-(2-aminoethoxy)chromen-2-one
CID 82506816
7-[11-[4-[4-(6-hydroxyhexoxy)phenyl]phenoxy]undecoxy]chromen-2-one
CID 91941162
7-[2-(4-fluorophenoxy)ethoxy]chromen-2-one
CID 7233626
6-(2-oxochromen-7-yl)oxyhexanal
CID 11414285
7-(8-hydroxyoctoxy)chromen-2-one
CID 11300756
7-(2-methylprop-2-enoxy)chromen-2-one
CID 875202
7-(6-hydroxyhexoxy)chromen-2-one
CID 11369034
ethyl 5-(2-oxochromen-7-yl)oxypentanoate
CID 10401949
N-methyl-N-(2-methylcyclohexyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 134004095

Frequently Asked Questions

What is the IUPAC name of 7-[2-[(4R)-2-ethenyl-4-methylcyclopentyl]ethoxy]chromen-2-one?
The IUPAC name of 7-[2-[(4R)-2-ethenyl-4-methylcyclopentyl]ethoxy]chromen-2-one (CID 90155511) is 7-[2-[(4R)-2-ethenyl-4-methylcyclopentyl]ethoxy]chromen-2-one.
What is the SMILES notation for 7-[2-[(4R)-2-ethenyl-4-methylcyclopentyl]ethoxy]chromen-2-one?
The canonical SMILES for 7-[2-[(4R)-2-ethenyl-4-methylcyclopentyl]ethoxy]chromen-2-one is C=CC1C[C@H](C)CC1CCOc1ccc2ccc(=O)oc2c1.
What is the InChIKey of 7-[2-[(4R)-2-ethenyl-4-methylcyclopentyl]ethoxy]chromen-2-one?
The InChIKey is GNIYKJNXSOGHAZ-HLIUYOAVSA-N. The full InChI is InChI=1S/C19H22O3/c1-3-14-10-13(2)11-16(14)8-9-21-17-6-4-15-5-7-19(20)22-18(15)12-17/h3-7,12-14,16H,1,8-11H2,2H3/t13-,14?,16?/m0/s1.
What are the key properties of 7-[2-[(4R)-2-ethenyl-4-methylcyclopentyl]ethoxy]chromen-2-one?
7-[2-[(4R)-2-ethenyl-4-methylcyclopentyl]ethoxy]chromen-2-one has a molecular weight of 298.38 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[(4R)-2-ethenyl-4-methylcyclopentyl]ethoxy]chromen-2-one is sourced from PubChem (CID 90155511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).