1-(3,3-dimethylpentan-2-yl)-4-methoxybenzene

C14H22O — CID 173309676

IUPAC1-(3,3-dimethylpentan-2-yl)-4-methoxybenzene
SMILESCCC(C)(C)C(C)c1ccc(OC)cc1
InChIInChI=1S/C14H22O/c1-6-14(3,4)11(2)12-7-9-13(15-5)10-8-12/h7-11H,6H2,1-5H3
InChIKeyKLNVVSJZEMOCAB-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.23
Rot. Bonds4

About 1-(3,3-dimethylpentan-2-yl)-4-methoxybenzene

1-(3,3-dimethylpentan-2-yl)-4-methoxybenzene (PubChem CID 173309676) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-(3,3-dimethylpentan-2-yl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(3,3-dimethylpentan-2-yl)-4-methoxybenzene
PubChem CID173309676
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name1-(3,3-dimethylpentan-2-yl)-4-methoxybenzene
SMILESCCC(C)(C)C(C)c1ccc(OC)cc1
InChIInChI=1S/C14H22O/c1-6-14(3,4)11(2)12-7-9-13(15-5)10-8-12/h7-11H,6H2,1-5H3
InChIKeyKLNVVSJZEMOCAB-UHFFFAOYSA-N
XLogP4.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-chloro-2,2-dimethylbutyl)-4-methoxybenzene
CID 63428940
4-(3,3-dimethylpentan-2-yl)pyridine
CID 144548059
(2S,3S)-2-(4-methoxyphenyl)-3-pyridin-2-ylpentan-3-ol
CID 125488147
1-(2-bromo-3,3-dimethylpentyl)-4-methoxybenzene
CID 63543807
carbanide;1-methoxy-4-propan-2-ylbenzene;yttrium
CID 157263215
[(1R)-1-(4-methoxyphenyl)propyl]azanium
CID 2496559
1-methoxy-4-(3-methylpentan-2-yl)benzene
CID 138976766
1-methoxy-4-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene
CID 163393243
1-(2,2-dimethylbutoxy)-4-methoxybenzene
CID 70980088
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylpropan-2-amine
CID 58628220
N-[1-(4-methoxyphenyl)propyl]-2-methylbutan-2-amine
CID 43824465
[2-ethyl-2-methoxy-1-(4-methoxyphenyl)butyl]hydrazine
CID 105275411

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylpentan-2-yl)-4-methoxybenzene?
The IUPAC name of 1-(3,3-dimethylpentan-2-yl)-4-methoxybenzene (CID 173309676) is 1-(3,3-dimethylpentan-2-yl)-4-methoxybenzene.
What is the SMILES notation for 1-(3,3-dimethylpentan-2-yl)-4-methoxybenzene?
The canonical SMILES for 1-(3,3-dimethylpentan-2-yl)-4-methoxybenzene is CCC(C)(C)C(C)c1ccc(OC)cc1.
What is the InChIKey of 1-(3,3-dimethylpentan-2-yl)-4-methoxybenzene?
The InChIKey is KLNVVSJZEMOCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-6-14(3,4)11(2)12-7-9-13(15-5)10-8-12/h7-11H,6H2,1-5H3.
What are the key properties of 1-(3,3-dimethylpentan-2-yl)-4-methoxybenzene?
1-(3,3-dimethylpentan-2-yl)-4-methoxybenzene has a molecular weight of 206.33 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylpentan-2-yl)-4-methoxybenzene is sourced from PubChem (CID 173309676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).