3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propan-1-ol

C19H32O2 — CID 18957392

IUPAC3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propan-1-ol
SMILESCCC(C)(C)c1ccc(OCCCO)c(C(C)(C)CC)c1
InChIInChI=1S/C19H32O2/c1-7-18(3,4)15-10-11-17(21-13-9-12-20)16(14-15)19(5,6)8-2/h10-11,14,20H,7-9,12-13H2,1-6H3
InChIKeyQJSBKEAFZRBCNB-UHFFFAOYSA-N
MW292.46 g/mol
LogP4.82
Rot. Bonds8

About 3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propan-1-ol

3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propan-1-ol (PubChem CID 18957392) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is 3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propan-1-ol.

Molecular Properties

Compound Name3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propan-1-ol
PubChem CID18957392
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propan-1-ol
SMILESCCC(C)(C)c1ccc(OCCCO)c(C(C)(C)CC)c1
InChIInChI=1S/C19H32O2/c1-7-18(3,4)15-10-11-17(21-13-9-12-20)16(14-15)19(5,6)8-2/h10-11,14,20H,7-9,12-13H2,1-6H3
InChIKeyQJSBKEAFZRBCNB-UHFFFAOYSA-N
XLogP4.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.46
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butoxy-2,4-bis(2-methylbutan-2-yl)benzene;ethane
CID 145478769
1-(4-methoxybutoxy)-2,4-bis(2-methylbutan-2-yl)benzene
CID 145479204
4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butane-1-sulfonic acid
CID 170848277
2-[2,5-bis(2-methylbutan-2-yl)phenoxy]ethanol
CID 22501514
N-[3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propyl]methanesulfonamide;methane
CID 158846355
[2,4-bis(2-methylbutan-2-yl)phenyl] dihydrogen phosphite
CID 19899887
1-N,3-N-bis[3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propyl]-5-methylbenzene-1,3-dicarboxamide
CID 22952679
[2,4-bis(2-methylbutan-2-yl)phenyl] fluoro hydrogen phosphite
CID 70237708
[4-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butoxy]phenyl]diazene
CID 54018984
(2S,3R)-2-amino-N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-3-methylpentanamide
CID 7297103
1-methyl-2,4-bis(2-methylbutan-2-yl)benzene
CID 20667880
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]hexan-1-ol;hydrochloride
CID 70357884

Frequently Asked Questions

What is the IUPAC name of 3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propan-1-ol?
The IUPAC name of 3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propan-1-ol (CID 18957392) is 3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propan-1-ol.
What is the SMILES notation for 3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propan-1-ol?
The canonical SMILES for 3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propan-1-ol is CCC(C)(C)c1ccc(OCCCO)c(C(C)(C)CC)c1.
What is the InChIKey of 3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propan-1-ol?
The InChIKey is QJSBKEAFZRBCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2/c1-7-18(3,4)15-10-11-17(21-13-9-12-20)16(14-15)19(5,6)8-2/h10-11,14,20H,7-9,12-13H2,1-6H3.
What are the key properties of 3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propan-1-ol?
3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propan-1-ol has a molecular weight of 292.46 g/mol, XLogP of 4.82, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propan-1-ol is sourced from PubChem (CID 18957392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).