1-cyclopropyl-3-methoxybenzene;methane

C11H16O — CID 169265234

IUPAC1-cyclopropyl-3-methoxybenzene;methane
SMILESC.COc1cccc(C2CC2)c1
InChIInChI=1S/C10H12O.CH4/c1-11-10-4-2-3-9(7-10)8-5-6-8;/h2-4,7-8H,5-6H2,1H3;1H4
InChIKeyYXHDKGOABQOFSX-UHFFFAOYSA-N
MW164.25 g/mol
LogP3.21
Rot. Bonds2

About 1-cyclopropyl-3-methoxybenzene;methane

1-cyclopropyl-3-methoxybenzene;methane (PubChem CID 169265234) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-cyclopropyl-3-methoxybenzene;methane.

Molecular Properties

Compound Name1-cyclopropyl-3-methoxybenzene;methane
PubChem CID169265234
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name1-cyclopropyl-3-methoxybenzene;methane
SMILESC.COc1cccc(C2CC2)c1
InChIInChI=1S/C10H12O.CH4/c1-11-10-4-2-3-9(7-10)8-5-6-8;/h2-4,7-8H,5-6H2,1H3;1H4
InChIKeyYXHDKGOABQOFSX-UHFFFAOYSA-N
XLogP3.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

carbanide;1-cyclopropyl-3-methoxybenzene;tungsten
CID 169265135
1-cyclopropyl-3-methoxybenzene;methanol
CID 70274289
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[4-(3-methoxyphenyl)cyclohexyl]carbamic acid
CID 69226808
1-methoxy-3-(3-methylidenecyclobutyl)benzene
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[(1S,3S)-3-(3-methoxyphenyl)cyclopentyl]methanol
CID 125472378
1-methoxy-3-[4-(4-phenylbutyl)cyclohexyl]benzene
CID 143036080
1-amino-4-(3-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 22145256
cyclopropyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone
CID 51003388
3-(3-methoxyphenyl)-1-propan-2-ylazetidine
CID 166469184

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-methoxybenzene;methane?
The IUPAC name of 1-cyclopropyl-3-methoxybenzene;methane (CID 169265234) is 1-cyclopropyl-3-methoxybenzene;methane.
What is the SMILES notation for 1-cyclopropyl-3-methoxybenzene;methane?
The canonical SMILES for 1-cyclopropyl-3-methoxybenzene;methane is C.COc1cccc(C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-3-methoxybenzene;methane?
The InChIKey is YXHDKGOABQOFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O.CH4/c1-11-10-4-2-3-9(7-10)8-5-6-8;/h2-4,7-8H,5-6H2,1H3;1H4.
What are the key properties of 1-cyclopropyl-3-methoxybenzene;methane?
1-cyclopropyl-3-methoxybenzene;methane has a molecular weight of 164.25 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-methoxybenzene;methane is sourced from PubChem (CID 169265234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).