(2S,3E,8aR)-4-ethyl-3-ethylidene-2-phenyl-6,7,8,8a-tetrahydro-5H-chromene

C19H24O — CID 102241510

IUPAC(2S,3E,8aR)-4-ethyl-3-ethylidene-2-phenyl-6,7,8,8a-tetrahydro-5H-chromene
SMILESC/C=C1\C(CC)=C2CCCC[C@H]2O[C@H]1c1ccccc1
InChIInChI=1S/C19H24O/c1-3-15-16(4-2)19(14-10-6-5-7-11-14)20-18-13-9-8-12-17(15)18/h4-7,10-11,18-19H,3,8-9,12-13H2,1-2H3/b16-4+/t18-,19+/m1/s1
InChIKeyJXXGCGDJANWVMQ-PTFALFBWSA-N
MW268.40 g/mol
LogP5.35
Rot. Bonds2

About (2S,3E,8aR)-4-ethyl-3-ethylidene-2-phenyl-6,7,8,8a-tetrahydro-5H-chromene

(2S,3E,8aR)-4-ethyl-3-ethylidene-2-phenyl-6,7,8,8a-tetrahydro-5H-chromene (PubChem CID 102241510) has the molecular formula C19H24O and a molecular weight of 268.40 g/mol. Its IUPAC name is (2S,3E,8aR)-4-ethyl-3-ethylidene-2-phenyl-6,7,8,8a-tetrahydro-5H-chromene.

Molecular Properties

Compound Name(2S,3E,8aR)-4-ethyl-3-ethylidene-2-phenyl-6,7,8,8a-tetrahydro-5H-chromene
PubChem CID102241510
Molecular FormulaC19H24O
Molecular Weight268.40 g/mol
Exact Mass268.18
IUPAC Name(2S,3E,8aR)-4-ethyl-3-ethylidene-2-phenyl-6,7,8,8a-tetrahydro-5H-chromene
SMILESC/C=C1\C(CC)=C2CCCC[C@H]2O[C@H]1c1ccccc1
InChIInChI=1S/C19H24O/c1-3-15-16(4-2)19(14-10-6-5-7-11-14)20-18-13-9-8-12-17(15)18/h4-7,10-11,18-19H,3,8-9,12-13H2,1-2H3/b16-4+/t18-,19+/m1/s1
InChIKeyJXXGCGDJANWVMQ-PTFALFBWSA-N
XLogP5.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.40
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-4-methyl-2-phenyl-3,5,6,7,8,8a-hexahydro-2H-chromene
CID 154711638
(2R,3E,8aR)-2-ethyl-3-ethylidene-4-methyl-6,7,8,8a-tetrahydro-5H-chromene
CID 11994849
(2S,5R)-2-ethyl-5-phenyloxolane
CID 102280065
cyclohexylbenzene;1,4-diethylbenzene
CID 174429743
(2R,6S)-2-butyl-6-phenyloxane
CID 131845672
3-phenyl-4,5,6,6a-tetrahydrocyclopenta[b]furan-2-one
CID 86097455
(1R)-5,5-dimethyl-1-phenyl-4,6,7,8-tetrahydro-1H-isochromen-3-one
CID 824554
butyl-methyl-bis(4-phenyl-2,3,4,5,6,7-hexahydro-1H-inden-1-yl)silane
CID 21338125
(1R,3S,8aR)-2-benzyl-3,4-diethyl-1-methyl-3,5,6,7,8,8a-hexahydro-1H-isoquinoline
CID 134945805
(2,2-diphenyl-4,5,6,6a-tetrahydrocyclopenta[d]oxasilol-3-yl)-trimethylsilane
CID 12994941
(6R)-2-(2-bromopropan-2-yl)-6-phenyloxane
CID 102038461
N,N-dimethylmethanamine;2-phenyloxolane
CID 71271242

Frequently Asked Questions

What is the IUPAC name of (2S,3E,8aR)-4-ethyl-3-ethylidene-2-phenyl-6,7,8,8a-tetrahydro-5H-chromene?
The IUPAC name of (2S,3E,8aR)-4-ethyl-3-ethylidene-2-phenyl-6,7,8,8a-tetrahydro-5H-chromene (CID 102241510) is (2S,3E,8aR)-4-ethyl-3-ethylidene-2-phenyl-6,7,8,8a-tetrahydro-5H-chromene.
What is the SMILES notation for (2S,3E,8aR)-4-ethyl-3-ethylidene-2-phenyl-6,7,8,8a-tetrahydro-5H-chromene?
The canonical SMILES for (2S,3E,8aR)-4-ethyl-3-ethylidene-2-phenyl-6,7,8,8a-tetrahydro-5H-chromene is C/C=C1\C(CC)=C2CCCC[C@H]2O[C@H]1c1ccccc1.
What is the InChIKey of (2S,3E,8aR)-4-ethyl-3-ethylidene-2-phenyl-6,7,8,8a-tetrahydro-5H-chromene?
The InChIKey is JXXGCGDJANWVMQ-PTFALFBWSA-N. The full InChI is InChI=1S/C19H24O/c1-3-15-16(4-2)19(14-10-6-5-7-11-14)20-18-13-9-8-12-17(15)18/h4-7,10-11,18-19H,3,8-9,12-13H2,1-2H3/b16-4+/t18-,19+/m1/s1.
What are the key properties of (2S,3E,8aR)-4-ethyl-3-ethylidene-2-phenyl-6,7,8,8a-tetrahydro-5H-chromene?
(2S,3E,8aR)-4-ethyl-3-ethylidene-2-phenyl-6,7,8,8a-tetrahydro-5H-chromene has a molecular weight of 268.40 g/mol, XLogP of 5.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3E,8aR)-4-ethyl-3-ethylidene-2-phenyl-6,7,8,8a-tetrahydro-5H-chromene is sourced from PubChem (CID 102241510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).