3-(3-methyl-4-propan-2-ylphenoxy)propan-1-ol

C13H20O2 — CID 43509991

IUPAC3-(3-methyl-4-propan-2-ylphenoxy)propan-1-ol
SMILESCc1cc(OCCCO)ccc1C(C)C
InChIInChI=1S/C13H20O2/c1-10(2)13-6-5-12(9-11(13)3)15-8-4-7-14/h5-6,9-10,14H,4,7-8H2,1-3H3
InChIKeyHMAXAAIXZMWIJG-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.88
Rot. Bonds5

About 3-(3-methyl-4-propan-2-ylphenoxy)propan-1-ol

3-(3-methyl-4-propan-2-ylphenoxy)propan-1-ol (PubChem CID 43509991) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-(3-methyl-4-propan-2-ylphenoxy)propan-1-ol.

Molecular Properties

Compound Name3-(3-methyl-4-propan-2-ylphenoxy)propan-1-ol
PubChem CID43509991
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name3-(3-methyl-4-propan-2-ylphenoxy)propan-1-ol
SMILESCc1cc(OCCCO)ccc1C(C)C
InChIInChI=1S/C13H20O2/c1-10(2)13-6-5-12(9-11(13)3)15-8-4-7-14/h5-6,9-10,14H,4,7-8H2,1-3H3
InChIKeyHMAXAAIXZMWIJG-UHFFFAOYSA-N
XLogP2.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-hydroxyethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]ethanol
CID 60686361
3-(3-methyl-4-propan-2-ylphenoxy)propanoic acid
CID 16773331
2-[2-methoxyethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]ethanol
CID 115613652
4-(3-methyl-4-propan-2-ylphenoxy)-N-propan-2-ylbutan-1-amine
CID 55077310
2-methyl-N-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]propan-2-amine
CID 2299544
butyl-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]azanium
CID 2581324
N-[3-(3-methyl-4-propan-2-ylphenoxy)propoxy]acetamide
CID 11821525
4-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]benzenecarbothioamide
CID 22680521
2-methyl-2-[methyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]propan-1-ol
CID 115637938
4-[2-(2-methoxyethylsulfanyl)ethoxy]-2-methyl-1-propan-2-ylbenzene
CID 112815261
3-methyl-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]butan-2-amine
CID 60690385
2-(3-methyl-4-propan-2-ylphenoxy)ethyl carbamimidothioate
CID 36521491

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-4-propan-2-ylphenoxy)propan-1-ol?
The IUPAC name of 3-(3-methyl-4-propan-2-ylphenoxy)propan-1-ol (CID 43509991) is 3-(3-methyl-4-propan-2-ylphenoxy)propan-1-ol.
What is the SMILES notation for 3-(3-methyl-4-propan-2-ylphenoxy)propan-1-ol?
The canonical SMILES for 3-(3-methyl-4-propan-2-ylphenoxy)propan-1-ol is Cc1cc(OCCCO)ccc1C(C)C.
What is the InChIKey of 3-(3-methyl-4-propan-2-ylphenoxy)propan-1-ol?
The InChIKey is HMAXAAIXZMWIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-10(2)13-6-5-12(9-11(13)3)15-8-4-7-14/h5-6,9-10,14H,4,7-8H2,1-3H3.
What are the key properties of 3-(3-methyl-4-propan-2-ylphenoxy)propan-1-ol?
3-(3-methyl-4-propan-2-ylphenoxy)propan-1-ol has a molecular weight of 208.30 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-4-propan-2-ylphenoxy)propan-1-ol is sourced from PubChem (CID 43509991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).