(1S)-1-[4-(2-phenoxyethoxy)phenyl]ethanol

C16H18O3 — CID 78930795

IUPAC(1S)-1-[4-(2-phenoxyethoxy)phenyl]ethanol
SMILESC[C@H](O)c1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C16H18O3/c1-13(17)14-7-9-16(10-8-14)19-12-11-18-15-5-3-2-4-6-15/h2-10,13,17H,11-12H2,1H3/t13-/m0/s1
InChIKeyIHMDZDNSGNTLHX-ZDUSSCGKSA-N
MW258.32 g/mol
LogP3.20
Rot. Bonds6

About (1S)-1-[4-(2-phenoxyethoxy)phenyl]ethanol

(1S)-1-[4-(2-phenoxyethoxy)phenyl]ethanol (PubChem CID 78930795) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is (1S)-1-[4-(2-phenoxyethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-(2-phenoxyethoxy)phenyl]ethanol
PubChem CID78930795
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name(1S)-1-[4-(2-phenoxyethoxy)phenyl]ethanol
SMILESC[C@H](O)c1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C16H18O3/c1-13(17)14-7-9-16(10-8-14)19-12-11-18-15-5-3-2-4-6-15/h2-10,13,17H,11-12H2,1H3/t13-/m0/s1
InChIKeyIHMDZDNSGNTLHX-ZDUSSCGKSA-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

1-[4-(2-phenoxyethoxy)phenyl]ethanol
CID 54794924
(1R)-1-[3-(2-phenoxyethoxy)phenyl]ethanol
CID 63365536
(1S)-1-[4-(2-phenoxyethoxy)phenyl]propan-1-ol
CID 78932191
1-[4-(2-fluoroethoxy)phenyl]ethanol
CID 80502586
1-(4-phenoxyphenyl)ethanol;hydrochloride
CID 67663526
(1R)-1-(4-pentoxyphenyl)ethanol
CID 25324369
(1S)-1-[4-(3-fluoropropoxy)phenyl]ethanol
CID 81113862
5-[4-[(1S)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 78930532
(1R)-1-(4-nonoxyphenyl)ethanol
CID 78944579
N-methyl-1-[4-(2-phenoxyethoxy)phenyl]ethanamine
CID 43285217
5-[4-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 63364105
(1R)-1-(4-octoxyphenyl)ethanol
CID 55223040

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(2-phenoxyethoxy)phenyl]ethanol?
The IUPAC name of (1S)-1-[4-(2-phenoxyethoxy)phenyl]ethanol (CID 78930795) is (1S)-1-[4-(2-phenoxyethoxy)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-(2-phenoxyethoxy)phenyl]ethanol?
The canonical SMILES for (1S)-1-[4-(2-phenoxyethoxy)phenyl]ethanol is C[C@H](O)c1ccc(OCCOc2ccccc2)cc1.
What is the InChIKey of (1S)-1-[4-(2-phenoxyethoxy)phenyl]ethanol?
The InChIKey is IHMDZDNSGNTLHX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18O3/c1-13(17)14-7-9-16(10-8-14)19-12-11-18-15-5-3-2-4-6-15/h2-10,13,17H,11-12H2,1H3/t13-/m0/s1.
What are the key properties of (1S)-1-[4-(2-phenoxyethoxy)phenyl]ethanol?
(1S)-1-[4-(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 (1S)-1-[4-(2-phenoxyethoxy)phenyl]ethanol is sourced from PubChem (CID 78930795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).