(3R)-3-(methoxymethyl)-3,4-dihydrochromen-2-one

C11H12O3 — CID 14941867

IUPAC(3R)-3-(methoxymethyl)-3,4-dihydrochromen-2-one
SMILESCOC[C@H]1Cc2ccccc2OC1=O
InChIInChI=1S/C11H12O3/c1-13-7-9-6-8-4-2-3-5-10(8)14-11(9)12/h2-5,9H,6-7H2,1H3/t9-/m1/s1
InChIKeyXKDIYLJHOLRJFU-SECBINFHSA-N
MW192.21 g/mol
LogP1.41
Rot. Bonds2

About (3R)-3-(methoxymethyl)-3,4-dihydrochromen-2-one

(3R)-3-(methoxymethyl)-3,4-dihydrochromen-2-one (PubChem CID 14941867) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is (3R)-3-(methoxymethyl)-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name(3R)-3-(methoxymethyl)-3,4-dihydrochromen-2-one
PubChem CID14941867
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name(3R)-3-(methoxymethyl)-3,4-dihydrochromen-2-one
SMILESCOC[C@H]1Cc2ccccc2OC1=O
InChIInChI=1S/C11H12O3/c1-13-7-9-6-8-4-2-3-5-10(8)14-11(9)12/h2-5,9H,6-7H2,1H3/t9-/m1/s1
InChIKeyXKDIYLJHOLRJFU-SECBINFHSA-N
XLogP1.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(nitromethyl)-3,4-dihydrochromen-2-one
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2-(methoxymethyl)-2,3-dihydroinden-1-one
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3-acetyl-3,4-dihydrochromen-2-one
CID 15418519
3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydrochromen-2-one
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3-[4-(methylamino)phenyl]-3,4-dihydrochromen-2-one
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3-(4-hydroxyphenyl)-3,4-dihydrochromen-2-one
CID 69198622
ethyl 2-(2-methylidene-3,4-dihydrochromen-3-yl)acetate
CID 102283296
3-ethyl-6-hydroxy-3,4-dihydrochromen-2-one
CID 130032866
1-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-methoxy-1-N-methylpropane-1,2-diamine
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(3S)-3-benzyl-6-fluoro-3,4-dihydrochromen-2-one
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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(methoxymethyl)-3,4-dihydrochromen-2-one?
The IUPAC name of (3R)-3-(methoxymethyl)-3,4-dihydrochromen-2-one (CID 14941867) is (3R)-3-(methoxymethyl)-3,4-dihydrochromen-2-one.
What is the SMILES notation for (3R)-3-(methoxymethyl)-3,4-dihydrochromen-2-one?
The canonical SMILES for (3R)-3-(methoxymethyl)-3,4-dihydrochromen-2-one is COC[C@H]1Cc2ccccc2OC1=O.
What is the InChIKey of (3R)-3-(methoxymethyl)-3,4-dihydrochromen-2-one?
The InChIKey is XKDIYLJHOLRJFU-SECBINFHSA-N. The full InChI is InChI=1S/C11H12O3/c1-13-7-9-6-8-4-2-3-5-10(8)14-11(9)12/h2-5,9H,6-7H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-3-(methoxymethyl)-3,4-dihydrochromen-2-one?
(3R)-3-(methoxymethyl)-3,4-dihydrochromen-2-one has a molecular weight of 192.21 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(methoxymethyl)-3,4-dihydrochromen-2-one is sourced from PubChem (CID 14941867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).