1-(heptan-2-yloxymethyl)-4-methoxybenzene

C15H24O2 — CID 142701861

IUPAC1-(heptan-2-yloxymethyl)-4-methoxybenzene
SMILESCCCCCC(C)OCc1ccc(OC)cc1
InChIInChI=1S/C15H24O2/c1-4-5-6-7-13(2)17-12-14-8-10-15(16-3)11-9-14/h8-11,13H,4-7,12H2,1-3H3
InChIKeyGGOUUCQCJPJFFZ-UHFFFAOYSA-N
MW236.35 g/mol
LogP4.18
Rot. Bonds8

About 1-(heptan-2-yloxymethyl)-4-methoxybenzene

1-(heptan-2-yloxymethyl)-4-methoxybenzene (PubChem CID 142701861) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 1-(heptan-2-yloxymethyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(heptan-2-yloxymethyl)-4-methoxybenzene
PubChem CID142701861
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name1-(heptan-2-yloxymethyl)-4-methoxybenzene
SMILESCCCCCC(C)OCc1ccc(OC)cc1
InChIInChI=1S/C15H24O2/c1-4-5-6-7-13(2)17-12-14-8-10-15(16-3)11-9-14/h8-11,13H,4-7,12H2,1-3H3
InChIKeyGGOUUCQCJPJFFZ-UHFFFAOYSA-N
XLogP4.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 54.18
H-Bond Donors ≤ 50
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-ethylnonan-2-yloxymethyl)-4-methoxybenzene
CID 123645301
1-butan-2-yl-4-(heptan-2-yloxymethyl)benzene
CID 134215652
(2S)-2-[(4-methoxyphenyl)methoxy]propan-1-ol
CID 14373639
(2R,5S)-5-[(4-methoxyphenyl)methoxy]hexane-1,2-diol
CID 24938597
(2S)-2-[(1S)-1-[(4-methoxyphenyl)methoxy]tridecyl]oxirane
CID 10406372
1-[[(2R)-2-iodododecoxy]methyl]-4-methoxybenzene
CID 101441069
1-(4-methoxyphenyl)heptan-2-amine
CID 61079044
1-(1-bromoethoxymethyl)-4-methoxybenzene
CID 56989997
N-[3-[(4-methoxyphenyl)methoxy]butyl]cyclopropanamine
CID 114996272
(Z)-1-[(4-methoxyphenyl)methoxy]oct-1-en-3-ol
CID 10587712
5-(octan-2-yloxymethyl)pyridin-2-amine
CID 55044841
1-methoxy-4-(octoxymethyl)benzene
CID 11288168

Frequently Asked Questions

What is the IUPAC name of 1-(heptan-2-yloxymethyl)-4-methoxybenzene?
The IUPAC name of 1-(heptan-2-yloxymethyl)-4-methoxybenzene (CID 142701861) is 1-(heptan-2-yloxymethyl)-4-methoxybenzene.
What is the SMILES notation for 1-(heptan-2-yloxymethyl)-4-methoxybenzene?
The canonical SMILES for 1-(heptan-2-yloxymethyl)-4-methoxybenzene is CCCCCC(C)OCc1ccc(OC)cc1.
What is the InChIKey of 1-(heptan-2-yloxymethyl)-4-methoxybenzene?
The InChIKey is GGOUUCQCJPJFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-4-5-6-7-13(2)17-12-14-8-10-15(16-3)11-9-14/h8-11,13H,4-7,12H2,1-3H3.
What are the key properties of 1-(heptan-2-yloxymethyl)-4-methoxybenzene?
1-(heptan-2-yloxymethyl)-4-methoxybenzene has a molecular weight of 236.35 g/mol, XLogP of 4.18, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(heptan-2-yloxymethyl)-4-methoxybenzene is sourced from PubChem (CID 142701861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).