1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylcyclopentan-1-ol

C17H24O2 — CID 104769259

IUPAC1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylcyclopentan-1-ol
SMILESCCC1CCC(O)(CC2CCOc3ccccc32)C1
InChIInChI=1S/C17H24O2/c1-2-13-7-9-17(18,11-13)12-14-8-10-19-16-6-4-3-5-15(14)16/h3-6,13-14,18H,2,7-12H2,1H3
InChIKeyKHIMFFGURCJMLM-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.88
Rot. Bonds3

About 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylcyclopentan-1-ol

1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylcyclopentan-1-ol (PubChem CID 104769259) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylcyclopentan-1-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylcyclopentan-1-ol
PubChem CID104769259
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylcyclopentan-1-ol
SMILESCCC1CCC(O)(CC2CCOc3ccccc32)C1
InChIInChI=1S/C17H24O2/c1-2-13-7-9-17(18,11-13)12-14-8-10-19-16-6-4-3-5-15(14)16/h3-6,13-14,18H,2,7-12H2,1H3
InChIKeyKHIMFFGURCJMLM-UHFFFAOYSA-N
XLogP3.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclopentan-1-ol
CID 104769122
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(ethylamino)cyclohexan-1-ol
CID 104772399
3-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclohexan-1-ol
CID 104769260
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4,4-dimethylcycloheptan-1-ol
CID 104769272
4-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-methylazepan-4-ol
CID 104769267
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-ethylcyclopentane-1-carboxylic acid
CID 79219923
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 104769683
[(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
2-(3,4-dihydro-2H-chromen-4-yl)-1-(2,2-dimethylcyclopropyl)ethanamine
CID 107004950

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylcyclopentan-1-ol?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylcyclopentan-1-ol (CID 104769259) is 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylcyclopentan-1-ol.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylcyclopentan-1-ol?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylcyclopentan-1-ol is CCC1CCC(O)(CC2CCOc3ccccc32)C1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylcyclopentan-1-ol?
The InChIKey is KHIMFFGURCJMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-2-13-7-9-17(18,11-13)12-14-8-10-19-16-6-4-3-5-15(14)16/h3-6,13-14,18H,2,7-12H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylcyclopentan-1-ol?
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylcyclopentan-1-ol has a molecular weight of 260.38 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylcyclopentan-1-ol is sourced from PubChem (CID 104769259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).