1-[(2S)-octan-2-yl]oxy-2-phenylbenzene

C20H26O — CID 122219918

IUPAC1-[(2S)-octan-2-yl]oxy-2-phenylbenzene
SMILESCCCCCC[C@H](C)Oc1ccccc1-c1ccccc1
InChIInChI=1S/C20H26O/c1-3-4-5-7-12-17(2)21-20-16-11-10-15-19(20)18-13-8-6-9-14-18/h6,8-11,13-17H,3-5,7,12H2,1-2H3/t17-/m0/s1
InChIKeyJOBDWQFCGKDOJK-KRWDZBQOSA-N
MW282.43 g/mol
LogP6.09
Rot. Bonds8

About 1-[(2S)-octan-2-yl]oxy-2-phenylbenzene

1-[(2S)-octan-2-yl]oxy-2-phenylbenzene (PubChem CID 122219918) has the molecular formula C20H26O and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-[(2S)-octan-2-yl]oxy-2-phenylbenzene.

Molecular Properties

Compound Name1-[(2S)-octan-2-yl]oxy-2-phenylbenzene
PubChem CID122219918
Molecular FormulaC20H26O
Molecular Weight282.43 g/mol
Exact Mass282.20
IUPAC Name1-[(2S)-octan-2-yl]oxy-2-phenylbenzene
SMILESCCCCCC[C@H](C)Oc1ccccc1-c1ccccc1
InChIInChI=1S/C20H26O/c1-3-4-5-7-12-17(2)21-20-16-11-10-15-19(20)18-13-8-6-9-14-18/h6,8-11,13-17H,3-5,7,12H2,1-2H3/t17-/m0/s1
InChIKeyJOBDWQFCGKDOJK-KRWDZBQOSA-N
XLogP6.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-iodo-3-octan-2-yloxy-2-phenylbenzene
CID 68871208
decan-2-yloxybenzene
CID 12838331
2-[(2R)-octan-2-yl]oxybenzoic acid
CID 29003628
1-fluoro-2-[(2R)-heptan-2-yl]oxybenzene
CID 14766294
(1R)-1-(2-octan-2-yloxyphenyl)ethanamine
CID 78937923
1-(difluoromethyl)-2-undecan-2-yloxybenzene
CID 150271588
1-octadecoxy-2-phenylbenzene
CID 70983974
1-nonan-2-yloxy-2-(trifluoromethyl)benzene
CID 130445178
1-(trifluoromethyl)-2-undecan-2-yloxybenzene
CID 150002093
2-[(2S)-octan-2-yl]oxybenzaldehyde
CID 36690507
1-ethenyl-2-nonan-2-yloxybenzene
CID 142728019
1-(2-octan-2-yloxyphenyl)propan-1-amine
CID 112678434

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-octan-2-yl]oxy-2-phenylbenzene?
The IUPAC name of 1-[(2S)-octan-2-yl]oxy-2-phenylbenzene (CID 122219918) is 1-[(2S)-octan-2-yl]oxy-2-phenylbenzene.
What is the SMILES notation for 1-[(2S)-octan-2-yl]oxy-2-phenylbenzene?
The canonical SMILES for 1-[(2S)-octan-2-yl]oxy-2-phenylbenzene is CCCCCC[C@H](C)Oc1ccccc1-c1ccccc1.
What is the InChIKey of 1-[(2S)-octan-2-yl]oxy-2-phenylbenzene?
The InChIKey is JOBDWQFCGKDOJK-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H26O/c1-3-4-5-7-12-17(2)21-20-16-11-10-15-19(20)18-13-8-6-9-14-18/h6,8-11,13-17H,3-5,7,12H2,1-2H3/t17-/m0/s1.
What are the key properties of 1-[(2S)-octan-2-yl]oxy-2-phenylbenzene?
1-[(2S)-octan-2-yl]oxy-2-phenylbenzene has a molecular weight of 282.43 g/mol, XLogP of 6.09, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-octan-2-yl]oxy-2-phenylbenzene is sourced from PubChem (CID 122219918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).