1-propan-2-yloxy-4-propoxybenzene

C12H18O2 — CID 57276091

IUPAC1-propan-2-yloxy-4-propoxybenzene
SMILESCCCOc1ccc(OC(C)C)cc1
InChIInChI=1S/C12H18O2/c1-4-9-13-11-5-7-12(8-6-11)14-10(2)3/h5-8,10H,4,9H2,1-3H3
InChIKeyYIODXSMPBNWRGN-UHFFFAOYSA-N
MW194.27 g/mol
LogP3.26
Rot. Bonds5

About 1-propan-2-yloxy-4-propoxybenzene

1-propan-2-yloxy-4-propoxybenzene (PubChem CID 57276091) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 1-propan-2-yloxy-4-propoxybenzene.

Molecular Properties

Compound Name1-propan-2-yloxy-4-propoxybenzene
PubChem CID57276091
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name1-propan-2-yloxy-4-propoxybenzene
SMILESCCCOc1ccc(OC(C)C)cc1
InChIInChI=1S/C12H18O2/c1-4-9-13-11-5-7-12(8-6-11)14-10(2)3/h5-8,10H,4,9H2,1-3H3
InChIKeyYIODXSMPBNWRGN-UHFFFAOYSA-N
XLogP3.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-propan-2-yloxy-4-propoxybenzene 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

N-[2-(4-methylphenoxy)propyl]-4-propoxyaniline
CID 54799010
(2-hydroxy-4-propan-2-yloxyphenyl)-(4-propoxyphenyl)methanone
CID 135325809
N-[(4-pentoxyphenyl)methyl]-4-propan-2-yloxyaniline
CID 54799858
N-propan-2-yl-4-propoxyaniline
CID 21311809
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
CID 57452703
CID 57452703
3-methyl-N-[2-(4-propoxyphenoxy)propyl]butan-1-amine
CID 63517499
N-[2-(4-propoxyphenoxy)propyl]cyclopropanamine
CID 62486929
1-butoxy-4-pentan-3-yloxybenzene
CID 90865394
(2R)-1-(4-propoxyanilino)propan-2-ol
CID 106932070
1-(1-hydroperoxyethyl)-4-propoxybenzene
CID 11241018
4-propan-2-yloxy-N-[(2-propoxyphenyl)methyl]aniline
CID 39422587

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxy-4-propoxybenzene?
The IUPAC name of 1-propan-2-yloxy-4-propoxybenzene (CID 57276091) is 1-propan-2-yloxy-4-propoxybenzene.
What is the SMILES notation for 1-propan-2-yloxy-4-propoxybenzene?
The canonical SMILES for 1-propan-2-yloxy-4-propoxybenzene is CCCOc1ccc(OC(C)C)cc1.
What is the InChIKey of 1-propan-2-yloxy-4-propoxybenzene?
The InChIKey is YIODXSMPBNWRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-4-9-13-11-5-7-12(8-6-11)14-10(2)3/h5-8,10H,4,9H2,1-3H3.
What are the key properties of 1-propan-2-yloxy-4-propoxybenzene?
1-propan-2-yloxy-4-propoxybenzene has a molecular weight of 194.27 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxy-4-propoxybenzene is sourced from PubChem (CID 57276091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).