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

C17H18O2 — CID 11149486

IUPAC(1S,2R)-1-(2-methoxyphenyl)-2-phenylbut-3-en-1-ol
SMILESC=C[C@H](c1ccccc1)[C@H](O)c1ccccc1OC
InChIInChI=1S/C17H18O2/c1-3-14(13-9-5-4-6-10-13)17(18)15-11-7-8-12-16(15)19-2/h3-12,14,17-18H,1H2,2H3/t14-,17+/m1/s1
InChIKeyWQSKCHPTNRAHGS-PBHICJAKSA-N
MW254.33 g/mol
LogP3.70
Rot. Bonds5

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

(1S,2R)-1-(2-methoxyphenyl)-2-phenylbut-3-en-1-ol (PubChem CID 11149486) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is (1S,2R)-1-(2-methoxyphenyl)-2-phenylbut-3-en-1-ol.

Molecular Properties

Compound Name(1S,2R)-1-(2-methoxyphenyl)-2-phenylbut-3-en-1-ol
PubChem CID11149486
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name(1S,2R)-1-(2-methoxyphenyl)-2-phenylbut-3-en-1-ol
SMILESC=C[C@H](c1ccccc1)[C@H](O)c1ccccc1OC
InChIInChI=1S/C17H18O2/c1-3-14(13-9-5-4-6-10-13)17(18)15-11-7-8-12-16(15)19-2/h3-12,14,17-18H,1H2,2H3/t14-,17+/m1/s1
InChIKeyWQSKCHPTNRAHGS-PBHICJAKSA-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

1-(1,2-diphenylbut-3-enyl)-2-methoxybenzene
CID 71377358
(1R,2S)-2-(4-methoxyphenyl)-1-phenylbut-3-en-1-ol
CID 134903492
(1R,2S)-1-(2-nitrophenyl)-2-phenylbut-3-en-1-ol
CID 102050815
[(1R,2S)-1-ethenyl-2-phenylbut-3-enyl]benzene
CID 12573330
2-[(1S,2S)-1-hydroxy-1-phenylbut-3-en-2-yl]phenol
CID 102148405
1-(2,6-dimethoxyphenyl)prop-2-en-1-ol
CID 115814673
(1S)-1-(2-methoxyphenyl)prop-2-en-1-amine
CID 124509135
(1S,2R)-2-amino-1-(2-methoxyphenyl)propan-1-ol
CID 15671931
1-(1-chloroprop-2-enyl)-2-methoxybenzene
CID 139328621
methyl 2-[(S)-hydroxy-(4-methoxyphenyl)methyl]-3-phenylpent-4-enoate
CID 59927754
1-cyclopropyl-2-(2-methoxyphenyl)ethane-1,2-diol
CID 103456830
O-[(2-methoxyphenyl)-phenylmethyl]hydroxylamine
CID 155511362

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-(2-methoxyphenyl)-2-phenylbut-3-en-1-ol?
The IUPAC name of (1S,2R)-1-(2-methoxyphenyl)-2-phenylbut-3-en-1-ol (CID 11149486) is (1S,2R)-1-(2-methoxyphenyl)-2-phenylbut-3-en-1-ol.
What is the SMILES notation for (1S,2R)-1-(2-methoxyphenyl)-2-phenylbut-3-en-1-ol?
The canonical SMILES for (1S,2R)-1-(2-methoxyphenyl)-2-phenylbut-3-en-1-ol is C=C[C@H](c1ccccc1)[C@H](O)c1ccccc1OC.
What is the InChIKey of (1S,2R)-1-(2-methoxyphenyl)-2-phenylbut-3-en-1-ol?
The InChIKey is WQSKCHPTNRAHGS-PBHICJAKSA-N. The full InChI is InChI=1S/C17H18O2/c1-3-14(13-9-5-4-6-10-13)17(18)15-11-7-8-12-16(15)19-2/h3-12,14,17-18H,1H2,2H3/t14-,17+/m1/s1.
What are the key properties of (1S,2R)-1-(2-methoxyphenyl)-2-phenylbut-3-en-1-ol?
(1S,2R)-1-(2-methoxyphenyl)-2-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 (1S,2R)-1-(2-methoxyphenyl)-2-phenylbut-3-en-1-ol is sourced from PubChem (CID 11149486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).