1-(1,1-dimethoxypropan-2-yl)-4-methoxybenzene

C12H18O3 — CID 13482611

IUPAC1-(1,1-dimethoxypropan-2-yl)-4-methoxybenzene
SMILESCOc1ccc(C(C)C(OC)OC)cc1
InChIInChI=1S/C12H18O3/c1-9(12(14-3)15-4)10-5-7-11(13-2)8-6-10/h5-9,12H,1-4H3
InChIKeyTWOQAPOESYHMRE-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.42
Rot. Bonds5

About 1-(1,1-dimethoxypropan-2-yl)-4-methoxybenzene

1-(1,1-dimethoxypropan-2-yl)-4-methoxybenzene (PubChem CID 13482611) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 1-(1,1-dimethoxypropan-2-yl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(1,1-dimethoxypropan-2-yl)-4-methoxybenzene
PubChem CID13482611
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name1-(1,1-dimethoxypropan-2-yl)-4-methoxybenzene
SMILESCOc1ccc(C(C)C(OC)OC)cc1
InChIInChI=1S/C12H18O3/c1-9(12(14-3)15-4)10-5-7-11(13-2)8-6-10/h5-9,12H,1-4H3
InChIKeyTWOQAPOESYHMRE-UHFFFAOYSA-N
XLogP2.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(4-methoxyphenyl)butan-2-amine
CID 54524041
(2S,3R)-3-(4-methoxyphenyl)butan-2-ol
CID 13481815
3-(4-methoxyphenyl)butan-2-amine;hydrochloride
CID 170910507
1-methoxy-4-(3-methylpentan-2-yl)benzene
CID 138976766
1-(1-chloro-2-methylpropyl)-4-methoxybenzene
CID 61081165
1-(4-bromo-3-methylbutan-2-yl)-4-methoxybenzene
CID 83932073
2,2-dimethoxy-1-(4-methoxyphenyl)-N-methylethanamine
CID 79492759
carbanide;1-methoxy-4-propan-2-ylbenzene;yttrium
CID 157263215
1-methoxy-4-[4-(1-methoxyethyl)phenyl]benzene
CID 139694053
1-[chloro(methoxy)methyl]-4-methoxybenzene
CID 15657443
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 12644064
CID 175713586
CID 175713586

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dimethoxypropan-2-yl)-4-methoxybenzene?
The IUPAC name of 1-(1,1-dimethoxypropan-2-yl)-4-methoxybenzene (CID 13482611) is 1-(1,1-dimethoxypropan-2-yl)-4-methoxybenzene.
What is the SMILES notation for 1-(1,1-dimethoxypropan-2-yl)-4-methoxybenzene?
The canonical SMILES for 1-(1,1-dimethoxypropan-2-yl)-4-methoxybenzene is COc1ccc(C(C)C(OC)OC)cc1.
What is the InChIKey of 1-(1,1-dimethoxypropan-2-yl)-4-methoxybenzene?
The InChIKey is TWOQAPOESYHMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-9(12(14-3)15-4)10-5-7-11(13-2)8-6-10/h5-9,12H,1-4H3.
What are the key properties of 1-(1,1-dimethoxypropan-2-yl)-4-methoxybenzene?
1-(1,1-dimethoxypropan-2-yl)-4-methoxybenzene has a molecular weight of 210.27 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dimethoxypropan-2-yl)-4-methoxybenzene is sourced from PubChem (CID 13482611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).