8-[(1R)-1-hydroxyethyl]-3,6-dimethyl-2-phenylchromen-4-one

C19H18O3 — CID 166111304

IUPAC8-[(1R)-1-hydroxyethyl]-3,6-dimethyl-2-phenylchromen-4-one
SMILESCc1cc([C@@H](C)O)c2oc(-c3ccccc3)c(C)c(=O)c2c1
InChIInChI=1S/C19H18O3/c1-11-9-15(13(3)20)19-16(10-11)17(21)12(2)18(22-19)14-7-5-4-6-8-14/h4-10,13,20H,1-3H3/t13-/m1/s1
InChIKeyDYZVJUAAGNNLCR-CYBMUJFWSA-N
MW294.35 g/mol
LogP4.13
Rot. Bonds2

About 8-[(1R)-1-hydroxyethyl]-3,6-dimethyl-2-phenylchromen-4-one

8-[(1R)-1-hydroxyethyl]-3,6-dimethyl-2-phenylchromen-4-one (PubChem CID 166111304) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 8-[(1R)-1-hydroxyethyl]-3,6-dimethyl-2-phenylchromen-4-one.

Molecular Properties

Compound Name8-[(1R)-1-hydroxyethyl]-3,6-dimethyl-2-phenylchromen-4-one
PubChem CID166111304
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name8-[(1R)-1-hydroxyethyl]-3,6-dimethyl-2-phenylchromen-4-one
SMILESCc1cc([C@@H](C)O)c2oc(-c3ccccc3)c(C)c(=O)c2c1
InChIInChI=1S/C19H18O3/c1-11-9-15(13(3)20)19-16(10-11)17(21)12(2)18(22-19)14-7-5-4-6-8-14/h4-10,13,20H,1-3H3/t13-/m1/s1
InChIKeyDYZVJUAAGNNLCR-CYBMUJFWSA-N
XLogP4.13
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(1-aminoethyl)-3,6-dimethyl-2-phenylchromen-4-one
CID 166111500
8-[(1R)-1-hydroxyethyl]-3,6-dimethyl-2-pyrazolo[1,5-a]pyridin-6-ylchromen-4-one
CID 166146679
3,6-dimethyl-8-[(1R)-1-(2-methylanilino)ethyl]-2-phenylchromen-4-one
CID 169269773
8-[1-(tert-butylsulfanylamino)ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 170420560
3,6-dimethyl-2-phenyl-8-[1-[2-(2,2,2-trifluoro-1-hydroxyethyl)anilino]ethyl]chromen-4-one
CID 169269536
8-[1-(2-bromoanilino)ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 169269250
N-[(1R)-1-deuterio-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]-2-methylpropane-2-sulfinamide
CID 170671122
3,6-dimethyl-8-[1-[(3-methyl-1,2-thiazol-5-yl)amino]ethyl]-2-phenylchromen-4-one
CID 174170707
3,6-dimethyl-2-phenyl-8-propan-2-ylchromen-4-one;3,6-dimethylpyridine-2-carboxylic acid;methane
CID 166111150
3-chloro-6-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]-2-fluorobenzoic acid
CID 166111398
8-[1-[(2-fluoro-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 169270678
8-[(1R)-1-[(2-chloro-6-methyl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 174170947

Frequently Asked Questions

What is the IUPAC name of 8-[(1R)-1-hydroxyethyl]-3,6-dimethyl-2-phenylchromen-4-one?
The IUPAC name of 8-[(1R)-1-hydroxyethyl]-3,6-dimethyl-2-phenylchromen-4-one (CID 166111304) is 8-[(1R)-1-hydroxyethyl]-3,6-dimethyl-2-phenylchromen-4-one.
What is the SMILES notation for 8-[(1R)-1-hydroxyethyl]-3,6-dimethyl-2-phenylchromen-4-one?
The canonical SMILES for 8-[(1R)-1-hydroxyethyl]-3,6-dimethyl-2-phenylchromen-4-one is Cc1cc([C@@H](C)O)c2oc(-c3ccccc3)c(C)c(=O)c2c1.
What is the InChIKey of 8-[(1R)-1-hydroxyethyl]-3,6-dimethyl-2-phenylchromen-4-one?
The InChIKey is DYZVJUAAGNNLCR-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H18O3/c1-11-9-15(13(3)20)19-16(10-11)17(21)12(2)18(22-19)14-7-5-4-6-8-14/h4-10,13,20H,1-3H3/t13-/m1/s1.
What are the key properties of 8-[(1R)-1-hydroxyethyl]-3,6-dimethyl-2-phenylchromen-4-one?
8-[(1R)-1-hydroxyethyl]-3,6-dimethyl-2-phenylchromen-4-one has a molecular weight of 294.35 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1R)-1-hydroxyethyl]-3,6-dimethyl-2-phenylchromen-4-one is sourced from PubChem (CID 166111304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).