1-hexan-2-yloxy-3-methylbenzene

C13H20O — CID 58153502

IUPAC1-hexan-2-yloxy-3-methylbenzene
SMILESCCCCC(C)Oc1cccc(C)c1
InChIInChI=1S/C13H20O/c1-4-5-8-12(3)14-13-9-6-7-11(2)10-13/h6-7,9-10,12H,4-5,8H2,1-3H3
InChIKeyFLFCBDUHIBANSG-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.95
Rot. Bonds5

About 1-hexan-2-yloxy-3-methylbenzene

1-hexan-2-yloxy-3-methylbenzene (PubChem CID 58153502) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 1-hexan-2-yloxy-3-methylbenzene.

Molecular Properties

Compound Name1-hexan-2-yloxy-3-methylbenzene
PubChem CID58153502
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name1-hexan-2-yloxy-3-methylbenzene
SMILESCCCCC(C)Oc1cccc(C)c1
InChIInChI=1S/C13H20O/c1-4-5-8-12(3)14-13-9-6-7-11(2)10-13/h6-7,9-10,12H,4-5,8H2,1-3H3
InChIKeyFLFCBDUHIBANSG-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-methylphenoxy)-N-propan-2-ylpentan-1-amine
CID 62452888
3-heptan-2-yloxyaniline
CID 91558266
1-(3-octan-2-yloxyphenyl)ethanamine
CID 79168344
decan-2-yloxybenzene
CID 12838331
4-hexoxy-N-[2-(3-methylphenoxy)propyl]aniline
CID 54798879
1-methyl-4-tetradecan-2-yloxybenzene
CID 54164810
1-methyl-3-pentadecoxybenzene
CID 154641822
1-[(2S)-hexan-2-yl]-3-methylbenzene
CID 177146416
1-hexadecoxy-3-methylbenzene
CID 154641790
pentadecan-2-yl 3-methylbenzoate
CID 531573
4-hexan-2-yloxybenzoic acid
CID 19593666
(1S)-1-(3-pentan-2-yloxyphenyl)ethanol
CID 107892276

Frequently Asked Questions

What is the IUPAC name of 1-hexan-2-yloxy-3-methylbenzene?
The IUPAC name of 1-hexan-2-yloxy-3-methylbenzene (CID 58153502) is 1-hexan-2-yloxy-3-methylbenzene.
What is the SMILES notation for 1-hexan-2-yloxy-3-methylbenzene?
The canonical SMILES for 1-hexan-2-yloxy-3-methylbenzene is CCCCC(C)Oc1cccc(C)c1.
What is the InChIKey of 1-hexan-2-yloxy-3-methylbenzene?
The InChIKey is FLFCBDUHIBANSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-4-5-8-12(3)14-13-9-6-7-11(2)10-13/h6-7,9-10,12H,4-5,8H2,1-3H3.
What are the key properties of 1-hexan-2-yloxy-3-methylbenzene?
1-hexan-2-yloxy-3-methylbenzene has a molecular weight of 192.30 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexan-2-yloxy-3-methylbenzene is sourced from PubChem (CID 58153502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).