1-methoxy-3-propylbenzene

C10H14O — CID 14270128

IUPAC1-methoxy-3-propylbenzene
SMILESCCCc1cccc(OC)c1
InChIInChI=1S/C10H14O/c1-3-5-9-6-4-7-10(8-9)11-2/h4,6-8H,3,5H2,1-2H3
InChIKeyNZSPOOBIPDPNNX-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.65
Rot. Bonds3

About 1-methoxy-3-propylbenzene

1-methoxy-3-propylbenzene (PubChem CID 14270128) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-methoxy-3-propylbenzene.

Molecular Properties

Compound Name1-methoxy-3-propylbenzene
PubChem CID14270128
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name1-methoxy-3-propylbenzene
SMILESCCCc1cccc(OC)c1
InChIInChI=1S/C10H14O/c1-3-5-9-6-4-7-10(8-9)11-2/h4,6-8H,3,5H2,1-2H3
InChIKeyNZSPOOBIPDPNNX-UHFFFAOYSA-N
XLogP2.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methoxy-3-(3-propylphenoxy)benzene
CID 153343611
ethane;1-ethyl-3-methoxybenzene;propylbenzene
CID 142554792
1-methoxy-3-nonadecylbenzene
CID 154507578
1-ethyl-3-methoxybenzene;hydrofluoride
CID 174493623
N,N-diethyl-2-(3-methoxyphenyl)ethanamine
CID 69380986
1-methoxy-3-propylbenzene;molecular hydrogen;N-propan-2-ylbutan-1-amine
CID 168900875
magnesium;1-methoxy-3-propylbenzene;bromide
CID 14861069
2-(3-methoxyphenyl)-1-(4-propylphenyl)ethanamine
CID 43198146
N'-[2-(3-methoxyphenyl)ethyl]-N-propylpropane-1,3-diamine
CID 113410220
1-(4-chlorobutyl)-3-methoxybenzene
CID 10774359
1-phenylmethoxy-3-propylbenzene
CID 58977798
1-(3-methoxyphenyl)heptan-4-one
CID 64502649

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-propylbenzene?
The IUPAC name of 1-methoxy-3-propylbenzene (CID 14270128) is 1-methoxy-3-propylbenzene.
What is the SMILES notation for 1-methoxy-3-propylbenzene?
The canonical SMILES for 1-methoxy-3-propylbenzene is CCCc1cccc(OC)c1.
What is the InChIKey of 1-methoxy-3-propylbenzene?
The InChIKey is NZSPOOBIPDPNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-3-5-9-6-4-7-10(8-9)11-2/h4,6-8H,3,5H2,1-2H3.
What are the key properties of 1-methoxy-3-propylbenzene?
1-methoxy-3-propylbenzene has a molecular weight of 150.22 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-propylbenzene is sourced from PubChem (CID 14270128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).