3-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methylcyclopentan-1-one

C16H20O2 — CID 104771813

IUPAC3-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methylcyclopentan-1-one
SMILESCC1C(=O)CCC1CC1CCOc2ccccc21
InChIInChI=1S/C16H20O2/c1-11-12(6-7-15(11)17)10-13-8-9-18-16-5-3-2-4-14(13)16/h2-5,11-13H,6-10H2,1H3
InChIKeyKBBAJOJKTUBANP-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.56
Rot. Bonds2

About 3-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methylcyclopentan-1-one

3-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methylcyclopentan-1-one (PubChem CID 104771813) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methylcyclopentan-1-one.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methylcyclopentan-1-one
PubChem CID104771813
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name3-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methylcyclopentan-1-one
SMILESCC1C(=O)CCC1CC1CCOc2ccccc21
InChIInChI=1S/C16H20O2/c1-11-12(6-7-15(11)17)10-13-8-9-18-16-5-3-2-4-14(13)16/h2-5,11-13H,6-10H2,1H3
InChIKeyKBBAJOJKTUBANP-UHFFFAOYSA-N
XLogP3.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclobutane-1-carboxylic acid
CID 104772491
3-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidin-4-one
CID 114451510
5-methyl-3,5-dihydro-2H-1-benzoxepin-4-one
CID 84655541
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
3-(3,4-dihydro-2H-chromen-4-ylmethyl)oxan-4-ol
CID 106471269
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
(4R)-4-(iodomethyl)-3,4-dihydro-2H-chromene
CID 92908096
[2-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-ethylcyclohexyl]methanamine
CID 104772516
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-propylcyclohexan-1-ol
CID 104770871
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-propylcyclohexan-1-amine
CID 104771127

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methylcyclopentan-1-one?
The IUPAC name of 3-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methylcyclopentan-1-one (CID 104771813) is 3-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methylcyclopentan-1-one.
What is the SMILES notation for 3-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methylcyclopentan-1-one?
The canonical SMILES for 3-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methylcyclopentan-1-one is CC1C(=O)CCC1CC1CCOc2ccccc21.
What is the InChIKey of 3-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methylcyclopentan-1-one?
The InChIKey is KBBAJOJKTUBANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-11-12(6-7-15(11)17)10-13-8-9-18-16-5-3-2-4-14(13)16/h2-5,11-13H,6-10H2,1H3.
What are the key properties of 3-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methylcyclopentan-1-one?
3-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methylcyclopentan-1-one has a molecular weight of 244.33 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methylcyclopentan-1-one is sourced from PubChem (CID 104771813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).