(E,2S,3R)-3-methyl-6-(4-phenoxyphenyl)hex-5-en-2-ol

C19H22O2 — CID 58883202

IUPAC(E,2S,3R)-3-methyl-6-(4-phenoxyphenyl)hex-5-en-2-ol
SMILESC[C@H](O)[C@H](C)C/C=C/c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H22O2/c1-15(16(2)20)7-6-8-17-11-13-19(14-12-17)21-18-9-4-3-5-10-18/h3-6,8-16,20H,7H2,1-2H3/b8-6+/t15-,16+/m1/s1
InChIKeyUURBSNWBNMOPQA-DODUIYEKSA-N
MW282.38 g/mol
LogP4.90
Rot. Bonds6

About (E,2S,3R)-3-methyl-6-(4-phenoxyphenyl)hex-5-en-2-ol

(E,2S,3R)-3-methyl-6-(4-phenoxyphenyl)hex-5-en-2-ol (PubChem CID 58883202) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is (E,2S,3R)-3-methyl-6-(4-phenoxyphenyl)hex-5-en-2-ol.

Molecular Properties

Compound Name(E,2S,3R)-3-methyl-6-(4-phenoxyphenyl)hex-5-en-2-ol
PubChem CID58883202
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name(E,2S,3R)-3-methyl-6-(4-phenoxyphenyl)hex-5-en-2-ol
SMILESC[C@H](O)[C@H](C)C/C=C/c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H22O2/c1-15(16(2)20)7-6-8-17-11-13-19(14-12-17)21-18-9-4-3-5-10-18/h3-6,8-16,20H,7H2,1-2H3/b8-6+/t15-,16+/m1/s1
InChIKeyUURBSNWBNMOPQA-DODUIYEKSA-N
XLogP4.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-but-1-enyl]-4-phenoxybenzene
CID 58787161
but-1-enylbenzene;phenoxybenzene
CID 175609674
1-phenoxy-4-(2-phenylethenyl)benzene
CID 175482284
4-(4-phenoxyphenyl)but-3-enenitrile
CID 170800627
(E,1S,2S)-5-(4-methoxyphenyl)-1-phenylpent-4-ene-1,2-diol
CID 10517184
4-chloropent-1-enylbenzene
CID 66808272
2-methylpropylalumane;phenoxybenzene
CID 175332476
(E)-5-phenylpent-4-en-2-amine
CID 55254237
1-(4-phenoxyphenyl)ethanol;hydrochloride
CID 67663526
(1R,2R)-1-fluoro-1-(4-phenoxyphenyl)propan-2-ol
CID 122372141
1-(1-hydroxyethylsulfanyl)ethanol;phenoxybenzene
CID 21117107
trihydroxy(3-phenylprop-2-enyl)phosphanium
CID 70142410

Frequently Asked Questions

What is the IUPAC name of (E,2S,3R)-3-methyl-6-(4-phenoxyphenyl)hex-5-en-2-ol?
The IUPAC name of (E,2S,3R)-3-methyl-6-(4-phenoxyphenyl)hex-5-en-2-ol (CID 58883202) is (E,2S,3R)-3-methyl-6-(4-phenoxyphenyl)hex-5-en-2-ol.
What is the SMILES notation for (E,2S,3R)-3-methyl-6-(4-phenoxyphenyl)hex-5-en-2-ol?
The canonical SMILES for (E,2S,3R)-3-methyl-6-(4-phenoxyphenyl)hex-5-en-2-ol is C[C@H](O)[C@H](C)C/C=C/c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (E,2S,3R)-3-methyl-6-(4-phenoxyphenyl)hex-5-en-2-ol?
The InChIKey is UURBSNWBNMOPQA-DODUIYEKSA-N. The full InChI is InChI=1S/C19H22O2/c1-15(16(2)20)7-6-8-17-11-13-19(14-12-17)21-18-9-4-3-5-10-18/h3-6,8-16,20H,7H2,1-2H3/b8-6+/t15-,16+/m1/s1.
What are the key properties of (E,2S,3R)-3-methyl-6-(4-phenoxyphenyl)hex-5-en-2-ol?
(E,2S,3R)-3-methyl-6-(4-phenoxyphenyl)hex-5-en-2-ol has a molecular weight of 282.38 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S,3R)-3-methyl-6-(4-phenoxyphenyl)hex-5-en-2-ol is sourced from PubChem (CID 58883202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).