1,3-dimethyl-2-propan-2-yl-4-propan-2-yloxybenzene

C14H22O — CID 67978480

IUPAC1,3-dimethyl-2-propan-2-yl-4-propan-2-yloxybenzene
SMILESCc1ccc(OC(C)C)c(C)c1C(C)C
InChIInChI=1S/C14H22O/c1-9(2)14-11(5)7-8-13(12(14)6)15-10(3)4/h7-10H,1-6H3
InChIKeyMXAMAGKHNVSYDU-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.21
Rot. Bonds3

About 1,3-dimethyl-2-propan-2-yl-4-propan-2-yloxybenzene

1,3-dimethyl-2-propan-2-yl-4-propan-2-yloxybenzene (PubChem CID 67978480) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 1,3-dimethyl-2-propan-2-yl-4-propan-2-yloxybenzene.

Molecular Properties

Compound Name1,3-dimethyl-2-propan-2-yl-4-propan-2-yloxybenzene
PubChem CID67978480
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name1,3-dimethyl-2-propan-2-yl-4-propan-2-yloxybenzene
SMILESCc1ccc(OC(C)C)c(C)c1C(C)C
InChIInChI=1S/C14H22O/c1-9(2)14-11(5)7-8-13(12(14)6)15-10(3)4/h7-10H,1-6H3
InChIKeyMXAMAGKHNVSYDU-UHFFFAOYSA-N
XLogP4.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-dimethyl-2,4-di(propan-2-yl)benzene;ethane
CID 145387685
4-fluoro-2-methyl-1-propan-2-yloxybenzene
CID 58970665
1-methyl-3-(3-methyl-2-propan-2-ylphenoxy)-2-propan-2-ylbenzene
CID 70475927
methyl 2-chloro-3-methyl-4-propan-2-yloxybenzoate
CID 164895514
1-methyl-2,3,4-tri(propan-2-yl)benzene
CID 22369929
(3-methyl-4-propan-2-yloxyphenyl)boronic acid
CID 23005368
4-methyl-3-propan-2-yloxybenzonitrile
CID 18424073
1-methyl-2-propan-2-yloxybenzene;trichlororuthenium
CID 175208112
4-cyclopropyl-2-methyl-1-propan-2-yloxybenzene
CID 118268967
propan-2-yl 4-methyl-2,3-di(propan-2-yl)benzenesulfonate
CID 174587587
3-ethyl-2-methyl-4-propan-2-yloxyphenol
CID 162375077
2-methyl-4-pentan-3-yl-1-propan-2-yloxybenzene
CID 134400936

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-propan-2-yl-4-propan-2-yloxybenzene?
The IUPAC name of 1,3-dimethyl-2-propan-2-yl-4-propan-2-yloxybenzene (CID 67978480) is 1,3-dimethyl-2-propan-2-yl-4-propan-2-yloxybenzene.
What is the SMILES notation for 1,3-dimethyl-2-propan-2-yl-4-propan-2-yloxybenzene?
The canonical SMILES for 1,3-dimethyl-2-propan-2-yl-4-propan-2-yloxybenzene is Cc1ccc(OC(C)C)c(C)c1C(C)C.
What is the InChIKey of 1,3-dimethyl-2-propan-2-yl-4-propan-2-yloxybenzene?
The InChIKey is MXAMAGKHNVSYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-9(2)14-11(5)7-8-13(12(14)6)15-10(3)4/h7-10H,1-6H3.
What are the key properties of 1,3-dimethyl-2-propan-2-yl-4-propan-2-yloxybenzene?
1,3-dimethyl-2-propan-2-yl-4-propan-2-yloxybenzene has a molecular weight of 206.33 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-propan-2-yl-4-propan-2-yloxybenzene is sourced from PubChem (CID 67978480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).