(1S)-1-[5-chloro-2-(3-phenoxypropoxy)phenyl]ethanol

C17H19ClO3 — CID 78933528

IUPAC(1S)-1-[5-chloro-2-(3-phenoxypropoxy)phenyl]ethanol
SMILESC[C@H](O)c1cc(Cl)ccc1OCCCOc1ccccc1
InChIInChI=1S/C17H19ClO3/c1-13(19)16-12-14(18)8-9-17(16)21-11-5-10-20-15-6-3-2-4-7-15/h2-4,6-9,12-13,19H,5,10-11H2,1H3/t13-/m0/s1
InChIKeyMKSVAIPVTPFMRA-ZDUSSCGKSA-N
MW306.79 g/mol
LogP4.24
Rot. Bonds7

About (1S)-1-[5-chloro-2-(3-phenoxypropoxy)phenyl]ethanol

(1S)-1-[5-chloro-2-(3-phenoxypropoxy)phenyl]ethanol (PubChem CID 78933528) has the molecular formula C17H19ClO3 and a molecular weight of 306.79 g/mol. Its IUPAC name is (1S)-1-[5-chloro-2-(3-phenoxypropoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-chloro-2-(3-phenoxypropoxy)phenyl]ethanol
PubChem CID78933528
Molecular FormulaC17H19ClO3
Molecular Weight306.79 g/mol
Exact Mass306.10
IUPAC Name(1S)-1-[5-chloro-2-(3-phenoxypropoxy)phenyl]ethanol
SMILESC[C@H](O)c1cc(Cl)ccc1OCCCOc1ccccc1
InChIInChI=1S/C17H19ClO3/c1-13(19)16-12-14(18)8-9-17(16)21-11-5-10-20-15-6-3-2-4-7-15/h2-4,6-9,12-13,19H,5,10-11H2,1H3/t13-/m0/s1
InChIKeyMKSVAIPVTPFMRA-ZDUSSCGKSA-N
XLogP4.24
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 54.24
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

(1R)-1-[5-chloro-2-(3-phenoxypropoxy)phenyl]ethanol
CID 63364444
1-[5-chloro-2-(3-phenoxypropoxy)phenyl]ethanol
CID 62937479
(1S)-1-[5-chloro-2-(3-methoxypropoxy)phenyl]ethanol
CID 78931460
(1R)-1-[5-chloro-2-(2-phenylethoxy)phenyl]ethanol
CID 78931026
1-[5-chloro-2-(3-ethoxypropoxy)phenyl]ethanol
CID 65175757
(1S)-1-[5-chloro-2-(4-methoxybutoxy)phenyl]ethanol
CID 104648019
(1S)-1-[5-chloro-2-(3-fluoropropoxy)phenyl]ethanol
CID 81113981
(1R)-1-(5-chloro-2-propoxyphenyl)ethanol
CID 63364392
1-(5-chloro-2-heptoxyphenyl)ethanol
CID 63533676
(1S)-1-(5-chloro-2-hexoxyphenyl)ethanol
CID 78931549
(1R)-1-[5-methyl-2-(2-phenoxyethoxy)phenyl]ethanol
CID 63366399
(1S)-1-(5-chloro-2-decoxyphenyl)ethanol
CID 78944253

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-chloro-2-(3-phenoxypropoxy)phenyl]ethanol?
The IUPAC name of (1S)-1-[5-chloro-2-(3-phenoxypropoxy)phenyl]ethanol (CID 78933528) is (1S)-1-[5-chloro-2-(3-phenoxypropoxy)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[5-chloro-2-(3-phenoxypropoxy)phenyl]ethanol?
The canonical SMILES for (1S)-1-[5-chloro-2-(3-phenoxypropoxy)phenyl]ethanol is C[C@H](O)c1cc(Cl)ccc1OCCCOc1ccccc1.
What is the InChIKey of (1S)-1-[5-chloro-2-(3-phenoxypropoxy)phenyl]ethanol?
The InChIKey is MKSVAIPVTPFMRA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19ClO3/c1-13(19)16-12-14(18)8-9-17(16)21-11-5-10-20-15-6-3-2-4-7-15/h2-4,6-9,12-13,19H,5,10-11H2,1H3/t13-/m0/s1.
What are the key properties of (1S)-1-[5-chloro-2-(3-phenoxypropoxy)phenyl]ethanol?
(1S)-1-[5-chloro-2-(3-phenoxypropoxy)phenyl]ethanol has a molecular weight of 306.79 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-chloro-2-(3-phenoxypropoxy)phenyl]ethanol is sourced from PubChem (CID 78933528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).