1-methoxy-2-[(3R)-3-methylpentyl]benzene

C13H20O — CID 142086575

IUPAC1-methoxy-2-[(3R)-3-methylpentyl]benzene
SMILESCC[C@@H](C)CCc1ccccc1OC
InChIInChI=1S/C13H20O/c1-4-11(2)9-10-12-7-5-6-8-13(12)14-3/h5-8,11H,4,9-10H2,1-3H3/t11-/m1/s1
InChIKeyMEVCQMAZBKTOGJ-LLVKDONJSA-N
MW192.30 g/mol
LogP3.67
Rot. Bonds5

About 1-methoxy-2-[(3R)-3-methylpentyl]benzene

1-methoxy-2-[(3R)-3-methylpentyl]benzene (PubChem CID 142086575) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 1-methoxy-2-[(3R)-3-methylpentyl]benzene.

Molecular Properties

Compound Name1-methoxy-2-[(3R)-3-methylpentyl]benzene
PubChem CID142086575
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name1-methoxy-2-[(3R)-3-methylpentyl]benzene
SMILESCC[C@@H](C)CCc1ccccc1OC
InChIInChI=1S/C13H20O/c1-4-11(2)9-10-12-7-5-6-8-13(12)14-3/h5-8,11H,4,9-10H2,1-3H3/t11-/m1/s1
InChIKeyMEVCQMAZBKTOGJ-LLVKDONJSA-N
XLogP3.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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5-(2-methoxyphenyl)pentane-2,3-diol
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1-(4-chlorohexyl)-2-methoxybenzene
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CID 18760982
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4-(2-methoxyphenyl)-1-phenylbutan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-[(3R)-3-methylpentyl]benzene?
The IUPAC name of 1-methoxy-2-[(3R)-3-methylpentyl]benzene (CID 142086575) is 1-methoxy-2-[(3R)-3-methylpentyl]benzene.
What is the SMILES notation for 1-methoxy-2-[(3R)-3-methylpentyl]benzene?
The canonical SMILES for 1-methoxy-2-[(3R)-3-methylpentyl]benzene is CC[C@@H](C)CCc1ccccc1OC.
What is the InChIKey of 1-methoxy-2-[(3R)-3-methylpentyl]benzene?
The InChIKey is MEVCQMAZBKTOGJ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20O/c1-4-11(2)9-10-12-7-5-6-8-13(12)14-3/h5-8,11H,4,9-10H2,1-3H3/t11-/m1/s1.
What are the key properties of 1-methoxy-2-[(3R)-3-methylpentyl]benzene?
1-methoxy-2-[(3R)-3-methylpentyl]benzene has a molecular weight of 192.30 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-[(3R)-3-methylpentyl]benzene is sourced from PubChem (CID 142086575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).