(1R)-1-[3-(2-phenoxyethoxy)phenyl]ethanol

C16H18O3 — CID 63365536

IUPAC(1R)-1-[3-(2-phenoxyethoxy)phenyl]ethanol
SMILESC[C@@H](O)c1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C16H18O3/c1-13(17)14-6-5-9-16(12-14)19-11-10-18-15-7-3-2-4-8-15/h2-9,12-13,17H,10-11H2,1H3/t13-/m1/s1
InChIKeySQWFGFJIIKLTLN-CYBMUJFWSA-N
MW258.32 g/mol
LogP3.20
Rot. Bonds6

About (1R)-1-[3-(2-phenoxyethoxy)phenyl]ethanol

(1R)-1-[3-(2-phenoxyethoxy)phenyl]ethanol (PubChem CID 63365536) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is (1R)-1-[3-(2-phenoxyethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-(2-phenoxyethoxy)phenyl]ethanol
PubChem CID63365536
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name(1R)-1-[3-(2-phenoxyethoxy)phenyl]ethanol
SMILESC[C@@H](O)c1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C16H18O3/c1-13(17)14-6-5-9-16(12-14)19-11-10-18-15-7-3-2-4-8-15/h2-9,12-13,17H,10-11H2,1H3/t13-/m1/s1
InChIKeySQWFGFJIIKLTLN-CYBMUJFWSA-N
XLogP3.20
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.20
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-(3-butoxyphenyl)ethanol
CID 78933868
(1R)-1-[3-(2-propoxyethoxy)phenyl]ethanol
CID 106453772
(1S)-1-[4-(2-phenoxyethoxy)phenyl]ethanol
CID 78930795
1-[4-(2-phenoxyethoxy)phenyl]ethanol
CID 54794924
(1S)-1-[3-(3-fluoropropoxy)phenyl]ethanol
CID 81114457
(1R)-1-[3-(3,3-dimethylbutoxy)phenyl]ethanol
CID 63365378
1-[3-(phenylmethoxymethoxy)phenyl]ethanol
CID 102939820
1-[3-[3-(dimethylamino)propoxy]phenyl]ethanol
CID 112508038
1-(3-phenoxyphenyl)ethanol
CID 12882419
(1R)-1-[3-(2-pyridin-2-ylethoxy)phenyl]ethanol
CID 78934011
(1S)-1-[3-(3-methylsulfonylpropoxy)phenyl]ethanol
CID 78933948
3-[3-[(1R)-1-hydroxyethyl]phenoxy]-N-methylpropanamide
CID 63365492

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(2-phenoxyethoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[3-(2-phenoxyethoxy)phenyl]ethanol (CID 63365536) is (1R)-1-[3-(2-phenoxyethoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-(2-phenoxyethoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-(2-phenoxyethoxy)phenyl]ethanol is C[C@@H](O)c1cccc(OCCOc2ccccc2)c1.
What is the InChIKey of (1R)-1-[3-(2-phenoxyethoxy)phenyl]ethanol?
The InChIKey is SQWFGFJIIKLTLN-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18O3/c1-13(17)14-6-5-9-16(12-14)19-11-10-18-15-7-3-2-4-8-15/h2-9,12-13,17H,10-11H2,1H3/t13-/m1/s1.
What are the key properties of (1R)-1-[3-(2-phenoxyethoxy)phenyl]ethanol?
(1R)-1-[3-(2-phenoxyethoxy)phenyl]ethanol has a molecular weight of 258.32 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(2-phenoxyethoxy)phenyl]ethanol is sourced from PubChem (CID 63365536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).