1-methoxy-3-(2-methoxypropyl)benzene

C11H16O2 — CID 56987806

IUPAC1-methoxy-3-(2-methoxypropyl)benzene
SMILESCOc1cccc(CC(C)OC)c1
InChIInChI=1S/C11H16O2/c1-9(12-2)7-10-5-4-6-11(8-10)13-3/h4-6,8-9H,7H2,1-3H3
InChIKeyVLHDSRCTVNQWTG-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.27
Rot. Bonds4

About 1-methoxy-3-(2-methoxypropyl)benzene

1-methoxy-3-(2-methoxypropyl)benzene (PubChem CID 56987806) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-methoxy-3-(2-methoxypropyl)benzene.

Molecular Properties

Compound Name1-methoxy-3-(2-methoxypropyl)benzene
PubChem CID56987806
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name1-methoxy-3-(2-methoxypropyl)benzene
SMILESCOc1cccc(CC(C)OC)c1
InChIInChI=1S/C11H16O2/c1-9(12-2)7-10-5-4-6-11(8-10)13-3/h4-6,8-9H,7H2,1-3H3
InChIKeyVLHDSRCTVNQWTG-UHFFFAOYSA-N
XLogP2.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxy-1-(3-methoxyphenyl)hexan-2-amine
CID 105133883
1-[(2S)-2-bromopropyl]-3-methoxybenzene
CID 129368805
(2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid
CID 42327175
4-(3-methoxyphenyl)-3-methylbutan-2-amine
CID 60995099
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-4-methylbenzene
CID 63437571
1-[2-bromo-2-(4-butan-2-ylphenyl)ethyl]-3-methoxybenzene
CID 63438806
1-chloro-2-(3-methoxyphenyl)ethanamine
CID 67681258
(3-methoxyphenyl)methanethiol
CID 10749403
3-fluoro-4-(3-methoxyphenyl)butan-2-amine
CID 105450748
5-(3-methoxyphenyl)-4-methylpentan-2-ol
CID 64721891
4-(3-methoxyphenyl)-3-methylbutan-1-amine
CID 79002230
1-(3-methoxyphenyl)propan-2-yl-methylphosphinous acid
CID 156844425

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(2-methoxypropyl)benzene?
The IUPAC name of 1-methoxy-3-(2-methoxypropyl)benzene (CID 56987806) is 1-methoxy-3-(2-methoxypropyl)benzene.
What is the SMILES notation for 1-methoxy-3-(2-methoxypropyl)benzene?
The canonical SMILES for 1-methoxy-3-(2-methoxypropyl)benzene is COc1cccc(CC(C)OC)c1.
What is the InChIKey of 1-methoxy-3-(2-methoxypropyl)benzene?
The InChIKey is VLHDSRCTVNQWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-9(12-2)7-10-5-4-6-11(8-10)13-3/h4-6,8-9H,7H2,1-3H3.
What are the key properties of 1-methoxy-3-(2-methoxypropyl)benzene?
1-methoxy-3-(2-methoxypropyl)benzene has a molecular weight of 180.25 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(2-methoxypropyl)benzene is sourced from PubChem (CID 56987806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).