(2S,3S)-3-phenylmethoxy-1-(2-prop-2-enylphenyl)butan-2-ol

C20H24O2 — CID 57030159

IUPAC(2S,3S)-3-phenylmethoxy-1-(2-prop-2-enylphenyl)butan-2-ol
SMILESC=CCc1ccccc1C[C@H](O)[C@H](C)OCc1ccccc1
InChIInChI=1S/C20H24O2/c1-3-9-18-12-7-8-13-19(18)14-20(21)16(2)22-15-17-10-5-4-6-11-17/h3-8,10-13,16,20-21H,1,9,14-15H2,2H3/t16-,20-/m0/s1
InChIKeyIZCGRKFAJRROGV-JXFKEZNVSA-N
MW296.41 g/mol
LogP3.92
Rot. Bonds8

About (2S,3S)-3-phenylmethoxy-1-(2-prop-2-enylphenyl)butan-2-ol

(2S,3S)-3-phenylmethoxy-1-(2-prop-2-enylphenyl)butan-2-ol (PubChem CID 57030159) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is (2S,3S)-3-phenylmethoxy-1-(2-prop-2-enylphenyl)butan-2-ol.

Molecular Properties

Compound Name(2S,3S)-3-phenylmethoxy-1-(2-prop-2-enylphenyl)butan-2-ol
PubChem CID57030159
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name(2S,3S)-3-phenylmethoxy-1-(2-prop-2-enylphenyl)butan-2-ol
SMILESC=CCc1ccccc1C[C@H](O)[C@H](C)OCc1ccccc1
InChIInChI=1S/C20H24O2/c1-3-9-18-12-7-8-13-19(18)14-20(21)16(2)22-15-17-10-5-4-6-11-17/h3-8,10-13,16,20-21H,1,9,14-15H2,2H3/t16-,20-/m0/s1
InChIKeyIZCGRKFAJRROGV-JXFKEZNVSA-N
XLogP3.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-3-phenylmethoxybutane-1,2-diol
CID 13119193
(2S,3R,4S)-4-benzyl-2-phenylmethoxyhex-5-en-3-ol
CID 121344680
(2S)-2-phenylmethoxypropane-1,1-diol
CID 141364024
(7R,8R)-7-hydroxy-8-phenylmethoxynon-1-en-3-one
CID 46186042
(3R,4S)-1-naphthalen-1-yl-4-phenylmethoxypentan-3-ol
CID 57321321
(2S,3R)-3-phenylmethoxypent-4-en-2-ol
CID 73332888
(3R,4S,5S)-4-methyl-5-phenylmethoxyhexan-3-ol
CID 10799076
(3S,5R,6R)-1,1-dimethoxy-6-phenylmethoxyheptane-3,5-diol
CID 24747717
(3R,5S,6R)-1,1-dimethoxy-6-phenylmethoxyheptane-3,5-diol
CID 24747722
[(2R)-3-methylbutan-2-yl]oxymethylbenzene
CID 59976472
(2S,3R,4R)-4-phenylmethoxyhex-5-ene-2,3-diol
CID 46855133
methyl (3S,4R)-3-hydroxy-4-phenylmethoxypentanoate
CID 22215013

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-phenylmethoxy-1-(2-prop-2-enylphenyl)butan-2-ol?
The IUPAC name of (2S,3S)-3-phenylmethoxy-1-(2-prop-2-enylphenyl)butan-2-ol (CID 57030159) is (2S,3S)-3-phenylmethoxy-1-(2-prop-2-enylphenyl)butan-2-ol.
What is the SMILES notation for (2S,3S)-3-phenylmethoxy-1-(2-prop-2-enylphenyl)butan-2-ol?
The canonical SMILES for (2S,3S)-3-phenylmethoxy-1-(2-prop-2-enylphenyl)butan-2-ol is C=CCc1ccccc1C[C@H](O)[C@H](C)OCc1ccccc1.
What is the InChIKey of (2S,3S)-3-phenylmethoxy-1-(2-prop-2-enylphenyl)butan-2-ol?
The InChIKey is IZCGRKFAJRROGV-JXFKEZNVSA-N. The full InChI is InChI=1S/C20H24O2/c1-3-9-18-12-7-8-13-19(18)14-20(21)16(2)22-15-17-10-5-4-6-11-17/h3-8,10-13,16,20-21H,1,9,14-15H2,2H3/t16-,20-/m0/s1.
What are the key properties of (2S,3S)-3-phenylmethoxy-1-(2-prop-2-enylphenyl)butan-2-ol?
(2S,3S)-3-phenylmethoxy-1-(2-prop-2-enylphenyl)butan-2-ol has a molecular weight of 296.41 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-phenylmethoxy-1-(2-prop-2-enylphenyl)butan-2-ol is sourced from PubChem (CID 57030159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).