1-methoxy-3-(4-methylpentan-2-yloxy)benzene

C13H20O2 — CID 102109501

IUPAC1-methoxy-3-(4-methylpentan-2-yloxy)benzene
SMILESCOc1cccc(OC(C)CC(C)C)c1
InChIInChI=1S/C13H20O2/c1-10(2)8-11(3)15-13-7-5-6-12(9-13)14-4/h5-7,9-11H,8H2,1-4H3
InChIKeyPHHGQGMJJZWUDC-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.51
Rot. Bonds5

About 1-methoxy-3-(4-methylpentan-2-yloxy)benzene

1-methoxy-3-(4-methylpentan-2-yloxy)benzene (PubChem CID 102109501) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-methoxy-3-(4-methylpentan-2-yloxy)benzene.

Molecular Properties

Compound Name1-methoxy-3-(4-methylpentan-2-yloxy)benzene
PubChem CID102109501
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-methoxy-3-(4-methylpentan-2-yloxy)benzene
SMILESCOc1cccc(OC(C)CC(C)C)c1
InChIInChI=1S/C13H20O2/c1-10(2)8-11(3)15-13-7-5-6-12(9-13)14-4/h5-7,9-11H,8H2,1-4H3
InChIKeyPHHGQGMJJZWUDC-UHFFFAOYSA-N
XLogP3.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

azane;1,3-dimethoxybenzene
CID 70210283
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
CID 172849383
CID 172849383
2-amino-4-(3-methoxyphenoxy)-2-methylpentan-1-ol
CID 64805220
N,N-diethyl-2-(3-methoxyphenoxy)propanamide
CID 19203980
carbanide;1,3-dimethoxybenzene;rubidium(1+)
CID 160752391
calcium;1,3-dimethoxybenzene;hydride
CID 174808068
1,3-dimethoxybenzene;1,4-dimethoxybenzene
CID 91359455
4-[3-(4-methylpentan-2-yloxy)phenyl]but-3-yn-1-ol
CID 114284916
(2S)-2-(3-methoxyphenoxy)-N-propylpropanamide
CID 30392232
(2R)-2-(3-methoxyphenoxy)butanoate
CID 7022552
2-(3-methoxyphenoxy)-N-(3-methylbutyl)butanamide
CID 43909571

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(4-methylpentan-2-yloxy)benzene?
The IUPAC name of 1-methoxy-3-(4-methylpentan-2-yloxy)benzene (CID 102109501) is 1-methoxy-3-(4-methylpentan-2-yloxy)benzene.
What is the SMILES notation for 1-methoxy-3-(4-methylpentan-2-yloxy)benzene?
The canonical SMILES for 1-methoxy-3-(4-methylpentan-2-yloxy)benzene is COc1cccc(OC(C)CC(C)C)c1.
What is the InChIKey of 1-methoxy-3-(4-methylpentan-2-yloxy)benzene?
The InChIKey is PHHGQGMJJZWUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-10(2)8-11(3)15-13-7-5-6-12(9-13)14-4/h5-7,9-11H,8H2,1-4H3.
What are the key properties of 1-methoxy-3-(4-methylpentan-2-yloxy)benzene?
1-methoxy-3-(4-methylpentan-2-yloxy)benzene has a molecular weight of 208.30 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(4-methylpentan-2-yloxy)benzene is sourced from PubChem (CID 102109501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).