1-methoxy-3-[[(1R)-2-propan-2-ylcyclopentyl]oxymethyl]benzene

C16H24O2 — CID 59459056

IUPAC1-methoxy-3-[[(1R)-2-propan-2-ylcyclopentyl]oxymethyl]benzene
SMILESCOc1cccc(CO[C@@H]2CCCC2C(C)C)c1
InChIInChI=1S/C16H24O2/c1-12(2)15-8-5-9-16(15)18-11-13-6-4-7-14(10-13)17-3/h4,6-7,10,12,15-16H,5,8-9,11H2,1-3H3/t15?,16-/m1/s1
InChIKeyJDUXSDXZHKCFAU-OEMAIJDKSA-N
MW248.37 g/mol
LogP4.04
Rot. Bonds5

About 1-methoxy-3-[[(1R)-2-propan-2-ylcyclopentyl]oxymethyl]benzene

1-methoxy-3-[[(1R)-2-propan-2-ylcyclopentyl]oxymethyl]benzene (PubChem CID 59459056) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-methoxy-3-[[(1R)-2-propan-2-ylcyclopentyl]oxymethyl]benzene.

Molecular Properties

Compound Name1-methoxy-3-[[(1R)-2-propan-2-ylcyclopentyl]oxymethyl]benzene
PubChem CID59459056
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-methoxy-3-[[(1R)-2-propan-2-ylcyclopentyl]oxymethyl]benzene
SMILESCOc1cccc(CO[C@@H]2CCCC2C(C)C)c1
InChIInChI=1S/C16H24O2/c1-12(2)15-8-5-9-16(15)18-11-13-6-4-7-14(10-13)17-3/h4,6-7,10,12,15-16H,5,8-9,11H2,1-3H3/t15?,16-/m1/s1
InChIKeyJDUXSDXZHKCFAU-OEMAIJDKSA-N
XLogP4.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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[2-[(3-methoxyphenyl)methoxy]cyclohexyl]methanamine
CID 43329442
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CID 43298537
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CID 63017891
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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[[(1R)-2-propan-2-ylcyclopentyl]oxymethyl]benzene?
The IUPAC name of 1-methoxy-3-[[(1R)-2-propan-2-ylcyclopentyl]oxymethyl]benzene (CID 59459056) is 1-methoxy-3-[[(1R)-2-propan-2-ylcyclopentyl]oxymethyl]benzene.
What is the SMILES notation for 1-methoxy-3-[[(1R)-2-propan-2-ylcyclopentyl]oxymethyl]benzene?
The canonical SMILES for 1-methoxy-3-[[(1R)-2-propan-2-ylcyclopentyl]oxymethyl]benzene is COc1cccc(CO[C@@H]2CCCC2C(C)C)c1.
What is the InChIKey of 1-methoxy-3-[[(1R)-2-propan-2-ylcyclopentyl]oxymethyl]benzene?
The InChIKey is JDUXSDXZHKCFAU-OEMAIJDKSA-N. The full InChI is InChI=1S/C16H24O2/c1-12(2)15-8-5-9-16(15)18-11-13-6-4-7-14(10-13)17-3/h4,6-7,10,12,15-16H,5,8-9,11H2,1-3H3/t15?,16-/m1/s1.
What are the key properties of 1-methoxy-3-[[(1R)-2-propan-2-ylcyclopentyl]oxymethyl]benzene?
1-methoxy-3-[[(1R)-2-propan-2-ylcyclopentyl]oxymethyl]benzene has a molecular weight of 248.37 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[[(1R)-2-propan-2-ylcyclopentyl]oxymethyl]benzene is sourced from PubChem (CID 59459056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).