(1R)-1-[4-methoxy-2-(3-phenylprop-2-ynoxy)phenyl]ethanol

C18H18O3 — CID 82002752

IUPAC(1R)-1-[4-methoxy-2-(3-phenylprop-2-ynoxy)phenyl]ethanol
SMILESCOc1ccc([C@@H](C)O)c(OCC#Cc2ccccc2)c1
InChIInChI=1S/C18H18O3/c1-14(19)17-11-10-16(20-2)13-18(17)21-12-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-11,13-14,19H,12H2,1-2H3/t14-/m1/s1
InChIKeyDJDQZLXILSONKP-CQSZACIVSA-N
MW282.34 g/mol
LogP3.18
Rot. Bonds4

About (1R)-1-[4-methoxy-2-(3-phenylprop-2-ynoxy)phenyl]ethanol

(1R)-1-[4-methoxy-2-(3-phenylprop-2-ynoxy)phenyl]ethanol (PubChem CID 82002752) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is (1R)-1-[4-methoxy-2-(3-phenylprop-2-ynoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-methoxy-2-(3-phenylprop-2-ynoxy)phenyl]ethanol
PubChem CID82002752
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name(1R)-1-[4-methoxy-2-(3-phenylprop-2-ynoxy)phenyl]ethanol
SMILESCOc1ccc([C@@H](C)O)c(OCC#Cc2ccccc2)c1
InChIInChI=1S/C18H18O3/c1-14(19)17-11-10-16(20-2)13-18(17)21-12-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-11,13-14,19H,12H2,1-2H3/t14-/m1/s1
InChIKeyDJDQZLXILSONKP-CQSZACIVSA-N
XLogP3.18
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[2-fluoro-4-(3-phenylprop-2-ynoxy)phenyl]ethanol
CID 107720667
1-[5-bromo-2-(3-phenylprop-2-ynoxy)phenyl]ethanol
CID 62379196
(1R)-1-[4-methoxy-2-(2-phenylsulfanylethoxy)phenyl]ethanol
CID 82003434
1-[2-(2,2-difluoroethoxy)-4-methoxyphenyl]ethanol
CID 82001163
(1S)-1-[4-methoxy-2-(pyrimidin-2-ylmethoxy)phenyl]ethanol
CID 82001017
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
1-(4-methoxy-2-propoxyphenyl)ethanol
CID 45157126
(1R)-1-[2-(2-fluoroethoxy)-4-methoxyphenyl]ethanol
CID 82001883
3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propan-1-ol
CID 82001079
(1S)-1-[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]ethanol
CID 82001096
(1R)-1-[3-methoxy-4-(3-phenylprop-2-ynoxy)phenyl]ethanamine
CID 63366781
(1S)-1-(4-methoxy-2-pentoxyphenyl)ethanol
CID 82001094

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-methoxy-2-(3-phenylprop-2-ynoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[4-methoxy-2-(3-phenylprop-2-ynoxy)phenyl]ethanol (CID 82002752) is (1R)-1-[4-methoxy-2-(3-phenylprop-2-ynoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-methoxy-2-(3-phenylprop-2-ynoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-methoxy-2-(3-phenylprop-2-ynoxy)phenyl]ethanol is COc1ccc([C@@H](C)O)c(OCC#Cc2ccccc2)c1.
What is the InChIKey of (1R)-1-[4-methoxy-2-(3-phenylprop-2-ynoxy)phenyl]ethanol?
The InChIKey is DJDQZLXILSONKP-CQSZACIVSA-N. The full InChI is InChI=1S/C18H18O3/c1-14(19)17-11-10-16(20-2)13-18(17)21-12-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-11,13-14,19H,12H2,1-2H3/t14-/m1/s1.
What are the key properties of (1R)-1-[4-methoxy-2-(3-phenylprop-2-ynoxy)phenyl]ethanol?
(1R)-1-[4-methoxy-2-(3-phenylprop-2-ynoxy)phenyl]ethanol has a molecular weight of 282.34 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-methoxy-2-(3-phenylprop-2-ynoxy)phenyl]ethanol is sourced from PubChem (CID 82002752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).