1-[(2R)-hexan-2-yl]-4-methoxybenzene

C13H20O — CID 134898534

IUPAC1-[(2R)-hexan-2-yl]-4-methoxybenzene
SMILESCCCC[C@@H](C)c1ccc(OC)cc1
InChIInChI=1S/C13H20O/c1-4-5-6-11(2)12-7-9-13(14-3)10-8-12/h7-11H,4-6H2,1-3H3/t11-/m1/s1
InChIKeyUDYNKNDSKSDTQI-LLVKDONJSA-N
MW192.30 g/mol
LogP3.99
Rot. Bonds5

About 1-[(2R)-hexan-2-yl]-4-methoxybenzene

1-[(2R)-hexan-2-yl]-4-methoxybenzene (PubChem CID 134898534) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 1-[(2R)-hexan-2-yl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[(2R)-hexan-2-yl]-4-methoxybenzene
PubChem CID134898534
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name1-[(2R)-hexan-2-yl]-4-methoxybenzene
SMILESCCCC[C@@H](C)c1ccc(OC)cc1
InChIInChI=1S/C13H20O/c1-4-5-6-11(2)12-7-9-13(14-3)10-8-12/h7-11H,4-6H2,1-3H3/t11-/m1/s1
InChIKeyUDYNKNDSKSDTQI-LLVKDONJSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[(2R)-hexan-2-yl]-4-methoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methoxy-4-nonan-5-ylbenzene
CID 14937032
1-methoxy-4-(2-methylheptan-3-yl)benzene
CID 54213021
1-(4-methoxyphenyl)pentan-1-ol
CID 10176510
1-hexan-2-yl-4-propan-2-ylbenzene
CID 139769010
6-(4-methoxyphenyl)heptan-2-one
CID 101408915
6-(4-methoxyphenyl)heptan-3-amine
CID 83932078
4-hexan-2-ylphenol
CID 12579179
(1S)-1-(4-methoxyphenyl)hexan-1-ol
CID 102325483
1-methoxy-4-[1-(4-methoxyphenyl)octyl]benzene
CID 10520209
1-methoxy-4-[1-(4-methoxyphenyl)henicosyl]benzene
CID 168813672
1-[(1S)-1-butoxyethyl]-4-methoxybenzene
CID 102525034
1-methoxy-4-[1-(4-methoxyphenyl)heptyl]benzene
CID 57185259

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-hexan-2-yl]-4-methoxybenzene?
The IUPAC name of 1-[(2R)-hexan-2-yl]-4-methoxybenzene (CID 134898534) is 1-[(2R)-hexan-2-yl]-4-methoxybenzene.
What is the SMILES notation for 1-[(2R)-hexan-2-yl]-4-methoxybenzene?
The canonical SMILES for 1-[(2R)-hexan-2-yl]-4-methoxybenzene is CCCC[C@@H](C)c1ccc(OC)cc1.
What is the InChIKey of 1-[(2R)-hexan-2-yl]-4-methoxybenzene?
The InChIKey is UDYNKNDSKSDTQI-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20O/c1-4-5-6-11(2)12-7-9-13(14-3)10-8-12/h7-11H,4-6H2,1-3H3/t11-/m1/s1.
What are the key properties of 1-[(2R)-hexan-2-yl]-4-methoxybenzene?
1-[(2R)-hexan-2-yl]-4-methoxybenzene has a molecular weight of 192.30 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-[(2R)-hexan-2-yl]-4-methoxybenzene is sourced from PubChem (CID 134898534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).