5-chloro-4-(trideuteriomethyl)-2,3-dihydrochromen-4-ol

C10H11ClO2 — CID 175892540

IUPAC5-chloro-4-(trideuteriomethyl)-2,3-dihydrochromen-4-ol
SMILES[2H]C([2H])([2H])C1(O)CCOc2cccc(Cl)c21
InChIInChI=1S/C10H11ClO2/c1-10(12)5-6-13-8-4-2-3-7(11)9(8)10/h2-4,12H,5-6H2,1H3/i1D3
InChIKeyRSIGEKFNCRPQCP-FIBGUPNXSA-N
MW201.67 g/mol
LogP2.33
Rot. Bonds1

About 5-chloro-4-(trideuteriomethyl)-2,3-dihydrochromen-4-ol

5-chloro-4-(trideuteriomethyl)-2,3-dihydrochromen-4-ol (PubChem CID 175892540) has the molecular formula C10H11ClO2 and a molecular weight of 201.67 g/mol. Its IUPAC name is 5-chloro-4-(trideuteriomethyl)-2,3-dihydrochromen-4-ol.

Molecular Properties

Compound Name5-chloro-4-(trideuteriomethyl)-2,3-dihydrochromen-4-ol
PubChem CID175892540
Molecular FormulaC10H11ClO2
Molecular Weight201.67 g/mol
Exact Mass201.06
IUPAC Name5-chloro-4-(trideuteriomethyl)-2,3-dihydrochromen-4-ol
SMILES[2H]C([2H])([2H])C1(O)CCOc2cccc(Cl)c21
InChIInChI=1S/C10H11ClO2/c1-10(12)5-6-13-8-4-2-3-7(11)9(8)10/h2-4,12H,5-6H2,1H3/i1D3
InChIKeyRSIGEKFNCRPQCP-FIBGUPNXSA-N
XLogP2.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.67
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-ol
CID 3490799
3-methyl-3,4-dihydro-2H-1-benzopyran-4-ol
CID 11858753
7-Chlorochroman-4-ol
CID 76851067
2H-1-Benzopyran-4-ol, 3,4-dihydro-2,2-dimethyl-, (4R)-
CID 15640697
4 Chloro-2-methoxybenzyl alcohol
CID 3549393
(3R,4R)-3-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 45267246
(3S,4R)-3-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 45270670
(3R,4R)-3-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-4-ol
CID 45272393
4-(2-hydroxyethyl)-3,4-dihydro-2H-1-benzopyran-4-ol
CID 126970863
(S)-2,2-dimethylchroman-4-ol
CID 11019418
1-(2-Chloro-6-methoxyphenyl)ethan-1-ol
CID 57812675
5-chloro-6-iodo-3,4-dihydro-2H-1-benzopyran
CID 59606716

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(trideuteriomethyl)-2,3-dihydrochromen-4-ol?
The IUPAC name of 5-chloro-4-(trideuteriomethyl)-2,3-dihydrochromen-4-ol (CID 175892540) is 5-chloro-4-(trideuteriomethyl)-2,3-dihydrochromen-4-ol.
What is the SMILES notation for 5-chloro-4-(trideuteriomethyl)-2,3-dihydrochromen-4-ol?
The canonical SMILES for 5-chloro-4-(trideuteriomethyl)-2,3-dihydrochromen-4-ol is [2H]C([2H])([2H])C1(O)CCOc2cccc(Cl)c21.
What is the InChIKey of 5-chloro-4-(trideuteriomethyl)-2,3-dihydrochromen-4-ol?
The InChIKey is RSIGEKFNCRPQCP-FIBGUPNXSA-N. The full InChI is InChI=1S/C10H11ClO2/c1-10(12)5-6-13-8-4-2-3-7(11)9(8)10/h2-4,12H,5-6H2,1H3/i1D3.
What are the key properties of 5-chloro-4-(trideuteriomethyl)-2,3-dihydrochromen-4-ol?
5-chloro-4-(trideuteriomethyl)-2,3-dihydrochromen-4-ol has a molecular weight of 201.67 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(trideuteriomethyl)-2,3-dihydrochromen-4-ol is sourced from PubChem (CID 175892540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).