1-[(2S)-3,4-dihydro-2H-chromen-2-yl]propan-1-one

C12H14O2 — CID 158725223

IUPAC1-[(2S)-3,4-dihydro-2H-chromen-2-yl]propan-1-one
SMILESCCC(=O)[C@@H]1CCc2ccccc2O1
InChIInChI=1S/C12H14O2/c1-2-10(13)12-8-7-9-5-3-4-6-11(9)14-12/h3-6,12H,2,7-8H2,1H3/t12-/m0/s1
InChIKeyQWMKCKQCKLWEMQ-LBPRGKRZSA-N
MW190.24 g/mol
LogP2.36
Rot. Bonds2

About 1-[(2S)-3,4-dihydro-2H-chromen-2-yl]propan-1-one

1-[(2S)-3,4-dihydro-2H-chromen-2-yl]propan-1-one (PubChem CID 158725223) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 1-[(2S)-3,4-dihydro-2H-chromen-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[(2S)-3,4-dihydro-2H-chromen-2-yl]propan-1-one
PubChem CID158725223
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name1-[(2S)-3,4-dihydro-2H-chromen-2-yl]propan-1-one
SMILESCCC(=O)[C@@H]1CCc2ccccc2O1
InChIInChI=1S/C12H14O2/c1-2-10(13)12-8-7-9-5-3-4-6-11(9)14-12/h3-6,12H,2,7-8H2,1H3/t12-/m0/s1
InChIKeyQWMKCKQCKLWEMQ-LBPRGKRZSA-N
XLogP2.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-hydroxy-N-methyl-3,4-dihydro-2H-chromene-2-carboxamide
CID 19815598
ethane;1-(6-methyl-3,4-dihydro-2H-chromen-2-yl)propan-1-one
CID 143613083
1-(3,4-dihydro-2H-chromen-2-yl)-2,2-dimethylpropan-1-one
CID 23567144
2-methylpropyl 3,4-dihydro-2H-chromene-2-carboxylate
CID 11031797
amino 3,4-dihydro-2H-chromene-2-carboxylate
CID 59060293
N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 91793841
N-[(2S)-1-propoxypropan-2-yl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 130179921
(2S)-N-methyl-N-(pyrazin-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 99959485
N-(1-naphthalen-1-ylethyl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 123882977
2-chloro-1-(2,3-dihydro-1-benzofuran-2-yl)ethanone
CID 45080935
2-chloro-1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]ethanone
CID 93494296
N-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 90651021

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-3,4-dihydro-2H-chromen-2-yl]propan-1-one?
The IUPAC name of 1-[(2S)-3,4-dihydro-2H-chromen-2-yl]propan-1-one (CID 158725223) is 1-[(2S)-3,4-dihydro-2H-chromen-2-yl]propan-1-one.
What is the SMILES notation for 1-[(2S)-3,4-dihydro-2H-chromen-2-yl]propan-1-one?
The canonical SMILES for 1-[(2S)-3,4-dihydro-2H-chromen-2-yl]propan-1-one is CCC(=O)[C@@H]1CCc2ccccc2O1.
What is the InChIKey of 1-[(2S)-3,4-dihydro-2H-chromen-2-yl]propan-1-one?
The InChIKey is QWMKCKQCKLWEMQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H14O2/c1-2-10(13)12-8-7-9-5-3-4-6-11(9)14-12/h3-6,12H,2,7-8H2,1H3/t12-/m0/s1.
What are the key properties of 1-[(2S)-3,4-dihydro-2H-chromen-2-yl]propan-1-one?
1-[(2S)-3,4-dihydro-2H-chromen-2-yl]propan-1-one has a molecular weight of 190.24 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-3,4-dihydro-2H-chromen-2-yl]propan-1-one is sourced from PubChem (CID 158725223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).