2-[2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-methylchromen-4-one

C24H24O4 — CID 91534261

IUPAC2-[2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-methylchromen-4-one
SMILESCOc1cccc(C=Cc2oc3ccccc3c(=O)c2C)c1OC1CCCC1
InChIInChI=1S/C24H24O4/c1-16-20(28-21-12-6-5-11-19(21)23(16)25)15-14-17-8-7-13-22(26-2)24(17)27-18-9-3-4-10-18/h5-8,11-15,18H,3-4,9-10H2,1-2H3
InChIKeyCBHVKCRDYKZUKL-UHFFFAOYSA-N
MW376.45 g/mol
LogP5.60
Rot. Bonds5

About 2-[2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-methylchromen-4-one

2-[2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-methylchromen-4-one (PubChem CID 91534261) has the molecular formula C24H24O4 and a molecular weight of 376.45 g/mol. Its IUPAC name is 2-[2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-methylchromen-4-one.

Molecular Properties

Compound Name2-[2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-methylchromen-4-one
PubChem CID91534261
Molecular FormulaC24H24O4
Molecular Weight376.45 g/mol
Exact Mass376.17
IUPAC Name2-[2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-methylchromen-4-one
SMILESCOc1cccc(C=Cc2oc3ccccc3c(=O)c2C)c1OC1CCCC1
InChIInChI=1S/C24H24O4/c1-16-20(28-21-12-6-5-11-19(21)23(16)25)15-14-17-8-7-13-22(26-2)24(17)27-18-9-3-4-10-18/h5-8,11-15,18H,3-4,9-10H2,1-2H3
InChIKeyCBHVKCRDYKZUKL-UHFFFAOYSA-N
XLogP5.60
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.45
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(E)-2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-methylchromen-4-one;ethane
CID 143993570
2-[2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-iodochromen-4-one
CID 67405069
4-[3-[2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-1-oxoisochromen-4-yl]benzonitrile
CID 67403591
3-methyl-2-(2-phenylethenyl)chromen-4-one
CID 85448922
(E)-3-(2-cyclobutyloxy-3-methoxyphenyl)prop-2-en-1-amine
CID 117338371
2-[(E)-2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-6,8-difluoro-3-methylchromen-4-one
CID 143993574
(NE)-N-[(2-cyclopentyloxy-3-methoxyphenyl)methylidene]hydroxylamine
CID 87204181
3-bromo-2-[2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one
CID 67547244
3-(2-cyclopentyloxy-3-methoxyphenyl)prop-2-enoyl azide
CID 91053667
2-[(E)-2-(2,3-dimethylphenyl)ethenyl]-3-phenylchromen-4-one
CID 58451608
4-[2-[(E)-2-[3-methoxy-2-(2-methylpropoxy)phenyl]ethenyl]-4-oxochromen-3-yl]benzonitrile
CID 46204896
2-cyclopentyloxy-1-ethyl-3-methoxybenzene
CID 90711986

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-methylchromen-4-one?
The IUPAC name of 2-[2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-methylchromen-4-one (CID 91534261) is 2-[2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-methylchromen-4-one.
What is the SMILES notation for 2-[2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-methylchromen-4-one?
The canonical SMILES for 2-[2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-methylchromen-4-one is COc1cccc(C=Cc2oc3ccccc3c(=O)c2C)c1OC1CCCC1.
What is the InChIKey of 2-[2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-methylchromen-4-one?
The InChIKey is CBHVKCRDYKZUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O4/c1-16-20(28-21-12-6-5-11-19(21)23(16)25)15-14-17-8-7-13-22(26-2)24(17)27-18-9-3-4-10-18/h5-8,11-15,18H,3-4,9-10H2,1-2H3.
What are the key properties of 2-[2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-methylchromen-4-one?
2-[2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-methylchromen-4-one has a molecular weight of 376.45 g/mol, XLogP of 5.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-methylchromen-4-one is sourced from PubChem (CID 91534261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).