(1S)-1-(5-chloro-2-hexoxyphenyl)ethanol

C14H21ClO2 — CID 78931549

IUPAC(1S)-1-(5-chloro-2-hexoxyphenyl)ethanol
SMILESCCCCCCOc1ccc(Cl)cc1[C@H](C)O
InChIInChI=1S/C14H21ClO2/c1-3-4-5-6-9-17-14-8-7-12(15)10-13(14)11(2)16/h7-8,10-11,16H,3-6,9H2,1-2H3/t11-/m0/s1
InChIKeyYEXAAMYVJKBMSU-NSHDSACASA-N
MW256.77 g/mol
LogP4.35
Rot. Bonds7

About (1S)-1-(5-chloro-2-hexoxyphenyl)ethanol

(1S)-1-(5-chloro-2-hexoxyphenyl)ethanol (PubChem CID 78931549) has the molecular formula C14H21ClO2 and a molecular weight of 256.77 g/mol. Its IUPAC name is (1S)-1-(5-chloro-2-hexoxyphenyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(5-chloro-2-hexoxyphenyl)ethanol
PubChem CID78931549
Molecular FormulaC14H21ClO2
Molecular Weight256.77 g/mol
Exact Mass256.12
IUPAC Name(1S)-1-(5-chloro-2-hexoxyphenyl)ethanol
SMILESCCCCCCOc1ccc(Cl)cc1[C@H](C)O
InChIInChI=1S/C14H21ClO2/c1-3-4-5-6-9-17-14-8-7-12(15)10-13(14)11(2)16/h7-8,10-11,16H,3-6,9H2,1-2H3/t11-/m0/s1
InChIKeyYEXAAMYVJKBMSU-NSHDSACASA-N
XLogP4.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.77
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloro-2-heptoxyphenyl)ethanol
CID 63533676
(1S)-1-(5-chloro-2-heptoxyphenyl)ethanol
CID 63533695
(1S)-1-(5-chloro-2-decoxyphenyl)ethanol
CID 78944253
(1R)-1-(5-chloro-2-propoxyphenyl)ethanol
CID 63364392
(1S)-1-[5-chloro-2-(4-methoxybutoxy)phenyl]ethanol
CID 104648019
(1R)-1-(5-chloro-2-hexoxyphenyl)ethanamine
CID 78932904
1-[5-chloro-2-(3-ethoxypropoxy)phenyl]ethanol
CID 65175757
(1S)-1-[5-chloro-2-(3-fluoropropoxy)phenyl]ethanol
CID 81113981
(1S)-1-[5-chloro-2-(3-methoxypropoxy)phenyl]ethanol
CID 78931460
1-(5-chloro-2-octoxyphenyl)-N-methylethanamine
CID 63499596
1-(5-bromo-2-nonoxyphenyl)ethanol
CID 63533540
(1R)-1-(5-bromo-2-nonoxyphenyl)ethanol
CID 63532943

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-chloro-2-hexoxyphenyl)ethanol?
The IUPAC name of (1S)-1-(5-chloro-2-hexoxyphenyl)ethanol (CID 78931549) is (1S)-1-(5-chloro-2-hexoxyphenyl)ethanol.
What is the SMILES notation for (1S)-1-(5-chloro-2-hexoxyphenyl)ethanol?
The canonical SMILES for (1S)-1-(5-chloro-2-hexoxyphenyl)ethanol is CCCCCCOc1ccc(Cl)cc1[C@H](C)O.
What is the InChIKey of (1S)-1-(5-chloro-2-hexoxyphenyl)ethanol?
The InChIKey is YEXAAMYVJKBMSU-NSHDSACASA-N. The full InChI is InChI=1S/C14H21ClO2/c1-3-4-5-6-9-17-14-8-7-12(15)10-13(14)11(2)16/h7-8,10-11,16H,3-6,9H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-(5-chloro-2-hexoxyphenyl)ethanol?
(1S)-1-(5-chloro-2-hexoxyphenyl)ethanol has a molecular weight of 256.77 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-chloro-2-hexoxyphenyl)ethanol is sourced from PubChem (CID 78931549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).