(2E,4S,5R,6R)-5-methyl-2,6-diphenylocta-2,7-dien-4-ol

C21H24O — CID 11652243

IUPAC(2E,4S,5R,6R)-5-methyl-2,6-diphenylocta-2,7-dien-4-ol
SMILESC=C[C@@H](c1ccccc1)[C@@H](C)[C@H](O)/C=C(\C)c1ccccc1
InChIInChI=1S/C21H24O/c1-4-20(19-13-9-6-10-14-19)17(3)21(22)15-16(2)18-11-7-5-8-12-18/h4-15,17,20-22H,1H2,2-3H3/b16-15+/t17-,20-,21-/m1/s1
InChIKeyJTRNUGOFLHWKCK-LRNIZNFSSA-N
MW292.42 g/mol
LogP5.06
Rot. Bonds6

About (2E,4S,5R,6R)-5-methyl-2,6-diphenylocta-2,7-dien-4-ol

(2E,4S,5R,6R)-5-methyl-2,6-diphenylocta-2,7-dien-4-ol (PubChem CID 11652243) has the molecular formula C21H24O and a molecular weight of 292.42 g/mol. Its IUPAC name is (2E,4S,5R,6R)-5-methyl-2,6-diphenylocta-2,7-dien-4-ol.

Molecular Properties

Compound Name(2E,4S,5R,6R)-5-methyl-2,6-diphenylocta-2,7-dien-4-ol
PubChem CID11652243
Molecular FormulaC21H24O
Molecular Weight292.42 g/mol
Exact Mass292.18
IUPAC Name(2E,4S,5R,6R)-5-methyl-2,6-diphenylocta-2,7-dien-4-ol
SMILESC=C[C@@H](c1ccccc1)[C@@H](C)[C@H](O)/C=C(\C)c1ccccc1
InChIInChI=1S/C21H24O/c1-4-20(19-13-9-6-10-14-19)17(3)21(22)15-16(2)18-11-7-5-8-12-18/h4-15,17,20-22H,1H2,2-3H3/b16-15+/t17-,20-,21-/m1/s1
InChIKeyJTRNUGOFLHWKCK-LRNIZNFSSA-N
XLogP5.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.42
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,4S,5R,6R)-5-methyl-2,6-diphenylocta-2,7-dien-4-ol with MolForge

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Launch Full Analysis

Related Compounds

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(E,2S,3R)-1,2-dideuterio-5-phenylhex-4-ene-2,3-diol
CID 44613846
(2S,3R)-2-hydroxy-1,3-diphenylpent-4-en-1-one
CID 134968055
(2S)-2-methyl-3-phenylpent-4-enoic acid
CID 70506498
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CID 76543432
(E)-1,3-diphenyl-N-(1-phenylpropa-1,2-dienyl)but-2-en-1-amine
CID 90130383
4-phenylpent-3-ene-1,2-diol
CID 67185961
1-methyl-4-(4-phenylpent-3-en-2-yl)benzene
CID 173216306
1,1,1-trifluoro-4-phenylpent-3-en-2-ol
CID 54050164
5-phenylhex-4-en-1-yn-3-ol
CID 130127782
1,1-diphenylbut-3-en-2-ol
CID 88826241

Frequently Asked Questions

What is the IUPAC name of (2E,4S,5R,6R)-5-methyl-2,6-diphenylocta-2,7-dien-4-ol?
The IUPAC name of (2E,4S,5R,6R)-5-methyl-2,6-diphenylocta-2,7-dien-4-ol (CID 11652243) is (2E,4S,5R,6R)-5-methyl-2,6-diphenylocta-2,7-dien-4-ol.
What is the SMILES notation for (2E,4S,5R,6R)-5-methyl-2,6-diphenylocta-2,7-dien-4-ol?
The canonical SMILES for (2E,4S,5R,6R)-5-methyl-2,6-diphenylocta-2,7-dien-4-ol is C=C[C@@H](c1ccccc1)[C@@H](C)[C@H](O)/C=C(\C)c1ccccc1.
What is the InChIKey of (2E,4S,5R,6R)-5-methyl-2,6-diphenylocta-2,7-dien-4-ol?
The InChIKey is JTRNUGOFLHWKCK-LRNIZNFSSA-N. The full InChI is InChI=1S/C21H24O/c1-4-20(19-13-9-6-10-14-19)17(3)21(22)15-16(2)18-11-7-5-8-12-18/h4-15,17,20-22H,1H2,2-3H3/b16-15+/t17-,20-,21-/m1/s1.
What are the key properties of (2E,4S,5R,6R)-5-methyl-2,6-diphenylocta-2,7-dien-4-ol?
(2E,4S,5R,6R)-5-methyl-2,6-diphenylocta-2,7-dien-4-ol has a molecular weight of 292.42 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4S,5R,6R)-5-methyl-2,6-diphenylocta-2,7-dien-4-ol is sourced from PubChem (CID 11652243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).