1,4-dimethyl-2-(3-propoxypropyl)benzene

C14H22O — CID 121277387

IUPAC1,4-dimethyl-2-(3-propoxypropyl)benzene
SMILESCCCOCCCc1cc(C)ccc1C
InChIInChI=1S/C14H22O/c1-4-9-15-10-5-6-14-11-12(2)7-8-13(14)3/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyKDTXJBYFXOXRFK-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.66
Rot. Bonds6

About 1,4-dimethyl-2-(3-propoxypropyl)benzene

1,4-dimethyl-2-(3-propoxypropyl)benzene (PubChem CID 121277387) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 1,4-dimethyl-2-(3-propoxypropyl)benzene.

Molecular Properties

Compound Name1,4-dimethyl-2-(3-propoxypropyl)benzene
PubChem CID121277387
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name1,4-dimethyl-2-(3-propoxypropyl)benzene
SMILESCCCOCCCc1cc(C)ccc1C
InChIInChI=1S/C14H22O/c1-4-9-15-10-5-6-14-11-12(2)7-8-13(14)3/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyKDTXJBYFXOXRFK-UHFFFAOYSA-N
XLogP3.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butoxybutane;1,2,4-trimethylbenzene
CID 90311214
2-butyl-1,4-dimethylbenzene;ethane;ethene
CID 177226937
CID 68534782
CID 68534782
1,2-dimethyl-4-(2-propoxyethoxy)benzene
CID 155584258
1-butyl-2-methyl-4-(2-propoxyethoxy)benzene
CID 123147082
6-(2,5-dimethylphenyl)hexan-3-one
CID 64522526
2-[2-[2-[2-(2,5-dimethylphenyl)ethyl]phenyl]ethyl]-1,4-dimethylbenzene
CID 132604430
2-(2-chloroethyl)-1,4-dimethylbenzene
CID 53403519
2-(2,5-dimethylphenyl)-N-ethylethanamine
CID 62537525
2-O-[2-(2,5-dimethylphenyl)ethyl] 1-O-ethyl oxalate
CID 91658040
bromo-[6-(2,5-dimethylphenyl)hexyl]-dimethyl-λ4-sulfane
CID 58078184
4-(2,5-dimethylphenyl)butane-1-sulfonyl chloride
CID 98702218

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-(3-propoxypropyl)benzene?
The IUPAC name of 1,4-dimethyl-2-(3-propoxypropyl)benzene (CID 121277387) is 1,4-dimethyl-2-(3-propoxypropyl)benzene.
What is the SMILES notation for 1,4-dimethyl-2-(3-propoxypropyl)benzene?
The canonical SMILES for 1,4-dimethyl-2-(3-propoxypropyl)benzene is CCCOCCCc1cc(C)ccc1C.
What is the InChIKey of 1,4-dimethyl-2-(3-propoxypropyl)benzene?
The InChIKey is KDTXJBYFXOXRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-4-9-15-10-5-6-14-11-12(2)7-8-13(14)3/h7-8,11H,4-6,9-10H2,1-3H3.
What are the key properties of 1,4-dimethyl-2-(3-propoxypropyl)benzene?
1,4-dimethyl-2-(3-propoxypropyl)benzene has a molecular weight of 206.33 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-(3-propoxypropyl)benzene is sourced from PubChem (CID 121277387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).