3-methylhexan-2-yloxybenzene

C13H20O — CID 150585965

IUPAC3-methylhexan-2-yloxybenzene
SMILESCCCC(C)C(C)Oc1ccccc1
InChIInChI=1S/C13H20O/c1-4-8-11(2)12(3)14-13-9-6-5-7-10-13/h5-7,9-12H,4,8H2,1-3H3
InChIKeyIOVRSNYLXVDEGQ-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.89
Rot. Bonds5

About 3-methylhexan-2-yloxybenzene

3-methylhexan-2-yloxybenzene (PubChem CID 150585965) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 3-methylhexan-2-yloxybenzene.

Molecular Properties

Compound Name3-methylhexan-2-yloxybenzene
PubChem CID150585965
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name3-methylhexan-2-yloxybenzene
SMILESCCCC(C)C(C)Oc1ccccc1
InChIInChI=1S/C13H20O/c1-4-8-11(2)12(3)14-13-9-6-5-7-10-13/h5-7,9-12H,4,8H2,1-3H3
InChIKeyIOVRSNYLXVDEGQ-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(2S,3R)-2-phenoxyhexan-3-yl] (2S)-2-aminopropanoate
CID 121462537
[(2R,3R)-3-deuteriopentan-2-yl]oxybenzene
CID 25240077
[(3S)-hex-1-en-3-yl]oxybenzene
CID 100974430
decan-2-yloxybenzene
CID 12838331
3-(3-methyloctan-2-yloxy)phenol
CID 70609437
1-butan-2-yloxypentan-2-yloxybenzene
CID 58764439
N,3-dimethyl-1-phenoxyhexan-2-amine
CID 107893778
bis(3-phenoxyundecan-2-yl) hydrogen phosphate
CID 139880759
undecan-6-yloxybenzene
CID 130316504
1,3-diethoxypropane;1-phenoxybutoxybenzene
CID 175552729
sodium 2-phenoxypentanoate
CID 59946136
2-(1-phenoxybutyl)phenol
CID 67180489

Frequently Asked Questions

What is the IUPAC name of 3-methylhexan-2-yloxybenzene?
The IUPAC name of 3-methylhexan-2-yloxybenzene (CID 150585965) is 3-methylhexan-2-yloxybenzene.
What is the SMILES notation for 3-methylhexan-2-yloxybenzene?
The canonical SMILES for 3-methylhexan-2-yloxybenzene is CCCC(C)C(C)Oc1ccccc1.
What is the InChIKey of 3-methylhexan-2-yloxybenzene?
The InChIKey is IOVRSNYLXVDEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-4-8-11(2)12(3)14-13-9-6-5-7-10-13/h5-7,9-12H,4,8H2,1-3H3.
What are the key properties of 3-methylhexan-2-yloxybenzene?
3-methylhexan-2-yloxybenzene has a molecular weight of 192.30 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylhexan-2-yloxybenzene is sourced from PubChem (CID 150585965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).