1-[(1S,2S)-2-butylcyclopropyl]-3-methoxybenzene

C14H20O — CID 102003898

IUPAC1-[(1S,2S)-2-butylcyclopropyl]-3-methoxybenzene
SMILESCCCC[C@H]1C[C@@H]1c1cccc(OC)c1
InChIInChI=1S/C14H20O/c1-3-4-6-12-10-14(12)11-7-5-8-13(9-11)15-2/h5,7-9,12,14H,3-4,6,10H2,1-2H3/t12-,14+/m0/s1
InChIKeySRNVHAWUIQJXQQ-GXTWGEPZSA-N
MW204.31 g/mol
LogP3.99
Rot. Bonds5

About 1-[(1S,2S)-2-butylcyclopropyl]-3-methoxybenzene

1-[(1S,2S)-2-butylcyclopropyl]-3-methoxybenzene (PubChem CID 102003898) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 1-[(1S,2S)-2-butylcyclopropyl]-3-methoxybenzene.

Molecular Properties

Compound Name1-[(1S,2S)-2-butylcyclopropyl]-3-methoxybenzene
PubChem CID102003898
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name1-[(1S,2S)-2-butylcyclopropyl]-3-methoxybenzene
SMILESCCCC[C@H]1C[C@@H]1c1cccc(OC)c1
InChIInChI=1S/C14H20O/c1-3-4-6-12-10-14(12)11-7-5-8-13(9-11)15-2/h5,7-9,12,14H,3-4,6,10H2,1-2H3/t12-,14+/m0/s1
InChIKeySRNVHAWUIQJXQQ-GXTWGEPZSA-N
XLogP3.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(1S,2R)-2-(3-methoxyphenyl)cyclopropyl]ethanamine
CID 139707086
1-[2-(3-methoxyphenyl)cyclopropyl]-N-methylmethanamine
CID 53275643
1-[(1R,2S)-2-(3-methoxyphenyl)cyclopropyl]-N-methylmethanamine
CID 94558345
2-[(1R,2R)-2-butylcyclopropyl]naphthalene
CID 102005653
[(1R,2R)-2-hexylcyclopropyl]benzene
CID 100977396
(2R)-2-(3-methoxyphenyl)oxirane
CID 22882163
2-(3-methoxyphenyl)-4-propylcyclohexane-1-carboxylic acid
CID 81020565
1-[2-(chloromethyl)cyclopropyl]-3-propoxybenzene
CID 81358665
[4-tert-butyl-2-(3-methoxyphenyl)cyclohexyl]methanamine
CID 81012051
1-bromo-3-(2-propylcyclopropyl)benzene
CID 142794167
(1R)-1-[(1R,2R)-2-(3-methoxyphenyl)cyclopropyl]ethanamine
CID 28912399
2-(3-methoxyphenyl)cyclopentan-1-amine
CID 62605139

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2-butylcyclopropyl]-3-methoxybenzene?
The IUPAC name of 1-[(1S,2S)-2-butylcyclopropyl]-3-methoxybenzene (CID 102003898) is 1-[(1S,2S)-2-butylcyclopropyl]-3-methoxybenzene.
What is the SMILES notation for 1-[(1S,2S)-2-butylcyclopropyl]-3-methoxybenzene?
The canonical SMILES for 1-[(1S,2S)-2-butylcyclopropyl]-3-methoxybenzene is CCCC[C@H]1C[C@@H]1c1cccc(OC)c1.
What is the InChIKey of 1-[(1S,2S)-2-butylcyclopropyl]-3-methoxybenzene?
The InChIKey is SRNVHAWUIQJXQQ-GXTWGEPZSA-N. The full InChI is InChI=1S/C14H20O/c1-3-4-6-12-10-14(12)11-7-5-8-13(9-11)15-2/h5,7-9,12,14H,3-4,6,10H2,1-2H3/t12-,14+/m0/s1.
What are the key properties of 1-[(1S,2S)-2-butylcyclopropyl]-3-methoxybenzene?
1-[(1S,2S)-2-butylcyclopropyl]-3-methoxybenzene has a molecular weight of 204.31 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-2-butylcyclopropyl]-3-methoxybenzene is sourced from PubChem (CID 102003898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).