(1R,2S)-2-(4-methoxyphenyl)-1-phenylbut-3-en-1-ol

C17H18O2 — CID 134903492

IUPAC(1R,2S)-2-(4-methoxyphenyl)-1-phenylbut-3-en-1-ol
SMILESC=C[C@@H](c1ccc(OC)cc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C17H18O2/c1-3-16(13-9-11-15(19-2)12-10-13)17(18)14-7-5-4-6-8-14/h3-12,16-18H,1H2,2H3/t16-,17-/m0/s1
InChIKeySUZCVWFCDAVBJL-IRXDYDNUSA-N
MW254.33 g/mol
LogP3.70
Rot. Bonds5

About (1R,2S)-2-(4-methoxyphenyl)-1-phenylbut-3-en-1-ol

(1R,2S)-2-(4-methoxyphenyl)-1-phenylbut-3-en-1-ol (PubChem CID 134903492) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is (1R,2S)-2-(4-methoxyphenyl)-1-phenylbut-3-en-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-(4-methoxyphenyl)-1-phenylbut-3-en-1-ol
PubChem CID134903492
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name(1R,2S)-2-(4-methoxyphenyl)-1-phenylbut-3-en-1-ol
SMILESC=C[C@@H](c1ccc(OC)cc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C17H18O2/c1-3-16(13-9-11-15(19-2)12-10-13)17(18)14-7-5-4-6-8-14/h3-12,16-18H,1H2,2H3/t16-,17-/m0/s1
InChIKeySUZCVWFCDAVBJL-IRXDYDNUSA-N
XLogP3.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.70
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

methyl 2-[(S)-hydroxy-(4-methoxyphenyl)methyl]-3-phenylpent-4-enoate
CID 59927754
(1S,2R)-1-(4-bromophenyl)-2-(4-methoxyphenyl)but-3-en-1-ol
CID 101336331
1-methoxy-4-[(1R)-1-phenylprop-2-enyl]benzene
CID 102287060
(1S,2R)-1-(2-methoxyphenyl)-2-phenylbut-3-en-1-ol
CID 11149486
[(Z,3S,4R)-4-hydroxy-3-(4-methoxyphenyl)-4-phenylbut-1-enyl] acetate
CID 132500061
(2S)-1-(4-methoxyphenyl)-2-[(1S)-1-phenylprop-2-enyl]butane-1,3-dione
CID 122378401
(2,3,4,5,6-pentafluorophenyl) (2R,3S)-2-(4-methoxyphenyl)-3-phenylpent-4-enoate
CID 132608841
(S)-N-[(1S,2S)-1-(4-methoxyphenyl)-2-phenylbut-3-enyl]-2-methylpropane-2-sulfinamide
CID 134941098
(1R,2S)-2-[(1R)-1-amino-1-(4-methoxyphenyl)ethyl]-1-phenylbut-3-en-1-ol
CID 134834536
(2R,3R)-3-hydroxy-3-(4-methoxyphenyl)-2-phenoxypropanoic acid
CID 15011210
1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905
(2R,3R)-2,3-dihydroxy-3-(4-methoxyphenyl)propanal
CID 124563621

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-(4-methoxyphenyl)-1-phenylbut-3-en-1-ol?
The IUPAC name of (1R,2S)-2-(4-methoxyphenyl)-1-phenylbut-3-en-1-ol (CID 134903492) is (1R,2S)-2-(4-methoxyphenyl)-1-phenylbut-3-en-1-ol.
What is the SMILES notation for (1R,2S)-2-(4-methoxyphenyl)-1-phenylbut-3-en-1-ol?
The canonical SMILES for (1R,2S)-2-(4-methoxyphenyl)-1-phenylbut-3-en-1-ol is C=C[C@@H](c1ccc(OC)cc1)[C@@H](O)c1ccccc1.
What is the InChIKey of (1R,2S)-2-(4-methoxyphenyl)-1-phenylbut-3-en-1-ol?
The InChIKey is SUZCVWFCDAVBJL-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H18O2/c1-3-16(13-9-11-15(19-2)12-10-13)17(18)14-7-5-4-6-8-14/h3-12,16-18H,1H2,2H3/t16-,17-/m0/s1.
What are the key properties of (1R,2S)-2-(4-methoxyphenyl)-1-phenylbut-3-en-1-ol?
(1R,2S)-2-(4-methoxyphenyl)-1-phenylbut-3-en-1-ol has a molecular weight of 254.33 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-(4-methoxyphenyl)-1-phenylbut-3-en-1-ol is sourced from PubChem (CID 134903492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).