1-cyclopropyl-3-methoxybenzene;methanol

C11H16O2 — CID 70274289

IUPAC1-cyclopropyl-3-methoxybenzene;methanol
SMILESCO.COc1cccc(C2CC2)c1
InChIInChI=1S/C10H12O.CH4O/c1-11-10-4-2-3-9(7-10)8-5-6-8;1-2/h2-4,7-8H,5-6H2,1H3;2H,1H3
InChIKeyZXXVMIXUGGJRTD-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.18
Rot. Bonds2

About 1-cyclopropyl-3-methoxybenzene;methanol

1-cyclopropyl-3-methoxybenzene;methanol (PubChem CID 70274289) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-cyclopropyl-3-methoxybenzene;methanol.

Molecular Properties

Compound Name1-cyclopropyl-3-methoxybenzene;methanol
PubChem CID70274289
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name1-cyclopropyl-3-methoxybenzene;methanol
SMILESCO.COc1cccc(C2CC2)c1
InChIInChI=1S/C10H12O.CH4O/c1-11-10-4-2-3-9(7-10)8-5-6-8;1-2/h2-4,7-8H,5-6H2,1H3;2H,1H3
InChIKeyZXXVMIXUGGJRTD-UHFFFAOYSA-N
XLogP2.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-methoxybenzene;methane
CID 169265234
carbanide;1-cyclopropyl-3-methoxybenzene;tungsten
CID 169265135
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CID 89380194
4-(3-methoxyphenyl)-1-methylpiperidine
CID 3030189
[4-(3-methoxyphenyl)cyclohexyl]carbamic acid
CID 69226808
[(1S,3S)-3-(3-methoxyphenyl)cyclopentyl]methanol
CID 125472378
3-(3-methoxyphenyl)oxetane
CID 130113867
1-methoxy-3-(3-methylidenecyclobutyl)benzene
CID 156818546
1-amino-4-(3-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 22145256
cyclopropyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone
CID 51003388
2-[4-(3-methoxyphenyl)piperidin-1-yl]acetic acid
CID 18184335
2-methoxy-1-[4-(3-methoxyphenyl)piperidin-1-yl]ethanone
CID 110479220

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-methoxybenzene;methanol?
The IUPAC name of 1-cyclopropyl-3-methoxybenzene;methanol (CID 70274289) is 1-cyclopropyl-3-methoxybenzene;methanol.
What is the SMILES notation for 1-cyclopropyl-3-methoxybenzene;methanol?
The canonical SMILES for 1-cyclopropyl-3-methoxybenzene;methanol is CO.COc1cccc(C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-3-methoxybenzene;methanol?
The InChIKey is ZXXVMIXUGGJRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O.CH4O/c1-11-10-4-2-3-9(7-10)8-5-6-8;1-2/h2-4,7-8H,5-6H2,1H3;2H,1H3.
What are the key properties of 1-cyclopropyl-3-methoxybenzene;methanol?
1-cyclopropyl-3-methoxybenzene;methanol has a molecular weight of 180.25 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-methoxybenzene;methanol is sourced from PubChem (CID 70274289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).