(2S)-2-[(2S)-2-methylbutyl]-8-phenyl-3,4-dihydro-2H-chromene

C20H24O — CID 143320136

IUPAC(2S)-2-[(2S)-2-methylbutyl]-8-phenyl-3,4-dihydro-2H-chromene
SMILESCC[C@H](C)C[C@@H]1CCc2cccc(-c3ccccc3)c2O1
InChIInChI=1S/C20H24O/c1-3-15(2)14-18-13-12-17-10-7-11-19(20(17)21-18)16-8-5-4-6-9-16/h4-11,15,18H,3,12-14H2,1-2H3/t15-,18-/m0/s1
InChIKeyMTVAVCOPMWJIBM-YJBOKZPZSA-N
MW280.41 g/mol
LogP5.48
Rot. Bonds4

About (2S)-2-[(2S)-2-methylbutyl]-8-phenyl-3,4-dihydro-2H-chromene

(2S)-2-[(2S)-2-methylbutyl]-8-phenyl-3,4-dihydro-2H-chromene (PubChem CID 143320136) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is (2S)-2-[(2S)-2-methylbutyl]-8-phenyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name(2S)-2-[(2S)-2-methylbutyl]-8-phenyl-3,4-dihydro-2H-chromene
PubChem CID143320136
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name(2S)-2-[(2S)-2-methylbutyl]-8-phenyl-3,4-dihydro-2H-chromene
SMILESCC[C@H](C)C[C@@H]1CCc2cccc(-c3ccccc3)c2O1
InChIInChI=1S/C20H24O/c1-3-15(2)14-18-13-12-17-10-7-11-19(20(17)21-18)16-8-5-4-6-9-16/h4-11,15,18H,3,12-14H2,1-2H3/t15-,18-/m0/s1
InChIKeyMTVAVCOPMWJIBM-YJBOKZPZSA-N
XLogP5.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.41
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;7-phenyl-2,3-dihydro-1-benzofuran;propane
CID 143222384
[(2R)-8-pyridin-3-yl-3,4-dihydro-2H-chromen-2-yl]methanamine
CID 15942465
[(2R)-8-propan-2-yloxy-3,4-dihydro-2H-chromen-2-yl]methanol
CID 59922596
benzene;2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde;ethanol
CID 142231638
1-[(2R)-6-fluoro-8-phenyl-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;hydrochloride
CID 69117687
[(2R)-6-fluoro-8-(2-phenylphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;hydrochloride
CID 69117682
1-[(2S)-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;hydrochloride
CID 69117191
[(2R)-8-iodo-3,4-dihydro-2H-chromen-2-yl]methanol
CID 71056694
(2R)-2-(azidomethyl)-8-(2-chlorophenyl)-3,4-dihydro-2H-chromene
CID 86609101
N-benzyl-1-[(2R)-8-propan-2-yloxy-3,4-dihydro-2H-chromen-2-yl]methanamine
CID 12047590
N-methyl-1-[7-(4-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11964052
6-(2-methylbutyl)-3-phenylcyclohex-2-en-1-one
CID 54050542

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S)-2-methylbutyl]-8-phenyl-3,4-dihydro-2H-chromene?
The IUPAC name of (2S)-2-[(2S)-2-methylbutyl]-8-phenyl-3,4-dihydro-2H-chromene (CID 143320136) is (2S)-2-[(2S)-2-methylbutyl]-8-phenyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for (2S)-2-[(2S)-2-methylbutyl]-8-phenyl-3,4-dihydro-2H-chromene?
The canonical SMILES for (2S)-2-[(2S)-2-methylbutyl]-8-phenyl-3,4-dihydro-2H-chromene is CC[C@H](C)C[C@@H]1CCc2cccc(-c3ccccc3)c2O1.
What is the InChIKey of (2S)-2-[(2S)-2-methylbutyl]-8-phenyl-3,4-dihydro-2H-chromene?
The InChIKey is MTVAVCOPMWJIBM-YJBOKZPZSA-N. The full InChI is InChI=1S/C20H24O/c1-3-15(2)14-18-13-12-17-10-7-11-19(20(17)21-18)16-8-5-4-6-9-16/h4-11,15,18H,3,12-14H2,1-2H3/t15-,18-/m0/s1.
What are the key properties of (2S)-2-[(2S)-2-methylbutyl]-8-phenyl-3,4-dihydro-2H-chromene?
(2S)-2-[(2S)-2-methylbutyl]-8-phenyl-3,4-dihydro-2H-chromene has a molecular weight of 280.41 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S)-2-methylbutyl]-8-phenyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 143320136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).