(1R)-1-[5-methyl-2-(2-phenoxyethoxy)phenyl]ethanol

C17H20O3 — CID 63366399

IUPAC(1R)-1-[5-methyl-2-(2-phenoxyethoxy)phenyl]ethanol
SMILESCc1ccc(OCCOc2ccccc2)c([C@@H](C)O)c1
InChIInChI=1S/C17H20O3/c1-13-8-9-17(16(12-13)14(2)18)20-11-10-19-15-6-4-3-5-7-15/h3-9,12,14,18H,10-11H2,1-2H3/t14-/m1/s1
InChIKeyLSASJCJJRBKCAU-CQSZACIVSA-N
MW272.34 g/mol
LogP3.51
Rot. Bonds6

About (1R)-1-[5-methyl-2-(2-phenoxyethoxy)phenyl]ethanol

(1R)-1-[5-methyl-2-(2-phenoxyethoxy)phenyl]ethanol (PubChem CID 63366399) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is (1R)-1-[5-methyl-2-(2-phenoxyethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[5-methyl-2-(2-phenoxyethoxy)phenyl]ethanol
PubChem CID63366399
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name(1R)-1-[5-methyl-2-(2-phenoxyethoxy)phenyl]ethanol
SMILESCc1ccc(OCCOc2ccccc2)c([C@@H](C)O)c1
InChIInChI=1S/C17H20O3/c1-13-8-9-17(16(12-13)14(2)18)20-11-10-19-15-6-4-3-5-7-15/h3-9,12,14,18H,10-11H2,1-2H3/t14-/m1/s1
InChIKeyLSASJCJJRBKCAU-CQSZACIVSA-N
XLogP3.51
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[2-[2-(3-bromophenoxy)ethoxy]-5-methylphenyl]ethanol
CID 78933736
(1R)-1-[5-bromo-2-(2-phenoxyethoxy)phenyl]ethanol
CID 63365910
(1S)-1-[5-methyl-2-(3-phenylpropoxy)phenyl]ethanol
CID 78933854
1-[2-(2-phenoxyethoxy)phenyl]ethanol
CID 54794905
1-[2-(2-ethoxyethoxy)-5-methylphenyl]ethanol
CID 43505298
(1R)-1-[5-chloro-2-(3-phenoxypropoxy)phenyl]ethanol
CID 63364444
(1S)-1-[5-chloro-2-(3-phenoxypropoxy)phenyl]ethanol
CID 78933528
1-[5-chloro-2-(3-phenoxypropoxy)phenyl]ethanol
CID 62937479
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
1-[2-(3-methoxypropoxy)-5-methylphenyl]ethanol
CID 60925219
1-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]ethanol
CID 64565484
(1R)-1-[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]ethanol
CID 103180545

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-methyl-2-(2-phenoxyethoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[5-methyl-2-(2-phenoxyethoxy)phenyl]ethanol (CID 63366399) is (1R)-1-[5-methyl-2-(2-phenoxyethoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[5-methyl-2-(2-phenoxyethoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[5-methyl-2-(2-phenoxyethoxy)phenyl]ethanol is Cc1ccc(OCCOc2ccccc2)c([C@@H](C)O)c1.
What is the InChIKey of (1R)-1-[5-methyl-2-(2-phenoxyethoxy)phenyl]ethanol?
The InChIKey is LSASJCJJRBKCAU-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20O3/c1-13-8-9-17(16(12-13)14(2)18)20-11-10-19-15-6-4-3-5-7-15/h3-9,12,14,18H,10-11H2,1-2H3/t14-/m1/s1.
What are the key properties of (1R)-1-[5-methyl-2-(2-phenoxyethoxy)phenyl]ethanol?
(1R)-1-[5-methyl-2-(2-phenoxyethoxy)phenyl]ethanol has a molecular weight of 272.34 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-methyl-2-(2-phenoxyethoxy)phenyl]ethanol is sourced from PubChem (CID 63366399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).