[(4S)-4-methoxyhexan-2-yl]benzene

C13H20O — CID 166439539

IUPAC[(4S)-4-methoxyhexan-2-yl]benzene
SMILESCC[C@@H](CC(C)c1ccccc1)OC
InChIInChI=1S/C13H20O/c1-4-13(14-3)10-11(2)12-8-6-5-7-9-12/h5-9,11,13H,4,10H2,1-3H3/t11?,13-/m0/s1
InChIKeySUTRBEHIIIHCRM-YUZLPWPTSA-N
MW192.30 g/mol
LogP3.61
Rot. Bonds5

About [(4S)-4-methoxyhexan-2-yl]benzene

[(4S)-4-methoxyhexan-2-yl]benzene (PubChem CID 166439539) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is [(4S)-4-methoxyhexan-2-yl]benzene.

Molecular Properties

Compound Name[(4S)-4-methoxyhexan-2-yl]benzene
PubChem CID166439539
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name[(4S)-4-methoxyhexan-2-yl]benzene
SMILESCC[C@@H](CC(C)c1ccccc1)OC
InChIInChI=1S/C13H20O/c1-4-13(14-3)10-11(2)12-8-6-5-7-9-12/h5-9,11,13H,4,10H2,1-3H3/t11?,13-/m0/s1
InChIKeySUTRBEHIIIHCRM-YUZLPWPTSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methoxy-4-phenylpentan-1-amine
CID 66072374
[6-ethyl-4-(2-ethylbutyl)octan-2-yl]benzene
CID 22960269
1-methoxy-4-(4-phenylhexan-2-yl)benzene
CID 134214893
4-phenyl-N-phosphanyl-N-propan-2-ylpentan-2-amine
CID 143536291
1-methoxyethylbenzene;methyl formate;propane
CID 161186417
3-phenylbutane-1,1-diol
CID 18417931
4-methylheptan-2-ylbenzene
CID 21055597
2,3-dimethoxy-N-(2-phenylpropyl)propan-1-amine
CID 107095421
(4R)-2-ethyl-4-phenylpentanenitrile
CID 58510500
1-methoxypropan-2-ylbenzene;uranium
CID 145056385
1-butan-2-yl-4-(4,6-diphenyloctan-2-yl)benzene
CID 23386381
1-butan-2-yl-4-(1-phenylethoxy)benzene
CID 58079027

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-methoxyhexan-2-yl]benzene?
The IUPAC name of [(4S)-4-methoxyhexan-2-yl]benzene (CID 166439539) is [(4S)-4-methoxyhexan-2-yl]benzene.
What is the SMILES notation for [(4S)-4-methoxyhexan-2-yl]benzene?
The canonical SMILES for [(4S)-4-methoxyhexan-2-yl]benzene is CC[C@@H](CC(C)c1ccccc1)OC.
What is the InChIKey of [(4S)-4-methoxyhexan-2-yl]benzene?
The InChIKey is SUTRBEHIIIHCRM-YUZLPWPTSA-N. The full InChI is InChI=1S/C13H20O/c1-4-13(14-3)10-11(2)12-8-6-5-7-9-12/h5-9,11,13H,4,10H2,1-3H3/t11?,13-/m0/s1.
What are the key properties of [(4S)-4-methoxyhexan-2-yl]benzene?
[(4S)-4-methoxyhexan-2-yl]benzene has a molecular weight of 192.30 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-methoxyhexan-2-yl]benzene is sourced from PubChem (CID 166439539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).