(1S)-1-(5-bromo-2-nonoxyphenyl)ethanol

C17H27BrO2 — CID 78944591

IUPAC(1S)-1-(5-bromo-2-nonoxyphenyl)ethanol
SMILESCCCCCCCCCOc1ccc(Br)cc1[C@H](C)O
InChIInChI=1S/C17H27BrO2/c1-3-4-5-6-7-8-9-12-20-17-11-10-15(18)13-16(17)14(2)19/h10-11,13-14,19H,3-9,12H2,1-2H3/t14-/m0/s1
InChIKeyFMABHWANDXBIJW-AWEZNQCLSA-N
MW343.30 g/mol
LogP5.63
Rot. Bonds10

About (1S)-1-(5-bromo-2-nonoxyphenyl)ethanol

(1S)-1-(5-bromo-2-nonoxyphenyl)ethanol (PubChem CID 78944591) has the molecular formula C17H27BrO2 and a molecular weight of 343.30 g/mol. Its IUPAC name is (1S)-1-(5-bromo-2-nonoxyphenyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(5-bromo-2-nonoxyphenyl)ethanol
PubChem CID78944591
Molecular FormulaC17H27BrO2
Molecular Weight343.30 g/mol
Exact Mass342.12
IUPAC Name(1S)-1-(5-bromo-2-nonoxyphenyl)ethanol
SMILESCCCCCCCCCOc1ccc(Br)cc1[C@H](C)O
InChIInChI=1S/C17H27BrO2/c1-3-4-5-6-7-8-9-12-20-17-11-10-15(18)13-16(17)14(2)19/h10-11,13-14,19H,3-9,12H2,1-2H3/t14-/m0/s1
InChIKeyFMABHWANDXBIJW-AWEZNQCLSA-N
XLogP5.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.30
LogP ≤ 55.63
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-bromo-2-nonoxyphenyl)ethanol
CID 63533540
(1R)-1-(5-bromo-2-nonoxyphenyl)ethanol
CID 63532943
1-(4-bromo-2-octoxyphenyl)ethanol
CID 102948186
(1S)-1-(5-bromo-2-hexoxyphenyl)ethanamine
CID 78937285
(1R)-1-(5-bromo-2-hexoxyphenyl)ethanamine
CID 55220592
5-[4-bromo-2-(1-hydroxyethyl)phenoxy]pentanenitrile
CID 62378839
1-[5-bromo-2-(3-fluoropropoxy)phenyl]ethanol
CID 81113258
(1R)-1-[5-bromo-2-(3-fluoropropoxy)phenyl]ethanol
CID 81114812
(1S)-1-(5-chloro-2-decoxyphenyl)ethanol
CID 78944253
1-(5-chloro-2-heptoxyphenyl)ethanol
CID 63533676
(1S)-1-(5-chloro-2-hexoxyphenyl)ethanol
CID 78931549
(1S)-1-(5-chloro-2-heptoxyphenyl)ethanol
CID 63533695

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-bromo-2-nonoxyphenyl)ethanol?
The IUPAC name of (1S)-1-(5-bromo-2-nonoxyphenyl)ethanol (CID 78944591) is (1S)-1-(5-bromo-2-nonoxyphenyl)ethanol.
What is the SMILES notation for (1S)-1-(5-bromo-2-nonoxyphenyl)ethanol?
The canonical SMILES for (1S)-1-(5-bromo-2-nonoxyphenyl)ethanol is CCCCCCCCCOc1ccc(Br)cc1[C@H](C)O.
What is the InChIKey of (1S)-1-(5-bromo-2-nonoxyphenyl)ethanol?
The InChIKey is FMABHWANDXBIJW-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H27BrO2/c1-3-4-5-6-7-8-9-12-20-17-11-10-15(18)13-16(17)14(2)19/h10-11,13-14,19H,3-9,12H2,1-2H3/t14-/m0/s1.
What are the key properties of (1S)-1-(5-bromo-2-nonoxyphenyl)ethanol?
(1S)-1-(5-bromo-2-nonoxyphenyl)ethanol has a molecular weight of 343.30 g/mol, XLogP of 5.63, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-bromo-2-nonoxyphenyl)ethanol is sourced from PubChem (CID 78944591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).