1-[4-(4,4-dimethylpentan-2-yl)phenoxy]-3-(4-ethylphenoxy)propan-2-ol

C24H34O3 — CID 164877972

IUPAC1-[4-(4,4-dimethylpentan-2-yl)phenoxy]-3-(4-ethylphenoxy)propan-2-ol
SMILESCCc1ccc(OCC(O)COc2ccc(C(C)CC(C)(C)C)cc2)cc1
InChIInChI=1S/C24H34O3/c1-6-19-7-11-22(12-8-19)26-16-21(25)17-27-23-13-9-20(10-14-23)18(2)15-24(3,4)5/h7-14,18,21,25H,6,15-17H2,1-5H3
InChIKeyBUMQPTWUQVPRKN-UHFFFAOYSA-N
MW370.53 g/mol
LogP5.61
Rot. Bonds9

About 1-[4-(4,4-dimethylpentan-2-yl)phenoxy]-3-(4-ethylphenoxy)propan-2-ol

1-[4-(4,4-dimethylpentan-2-yl)phenoxy]-3-(4-ethylphenoxy)propan-2-ol (PubChem CID 164877972) has the molecular formula C24H34O3 and a molecular weight of 370.53 g/mol. Its IUPAC name is 1-[4-(4,4-dimethylpentan-2-yl)phenoxy]-3-(4-ethylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[4-(4,4-dimethylpentan-2-yl)phenoxy]-3-(4-ethylphenoxy)propan-2-ol
PubChem CID164877972
Molecular FormulaC24H34O3
Molecular Weight370.53 g/mol
Exact Mass370.25
IUPAC Name1-[4-(4,4-dimethylpentan-2-yl)phenoxy]-3-(4-ethylphenoxy)propan-2-ol
SMILESCCc1ccc(OCC(O)COc2ccc(C(C)CC(C)(C)C)cc2)cc1
InChIInChI=1S/C24H34O3/c1-6-19-7-11-22(12-8-19)26-16-21(25)17-27-23-13-9-20(10-14-23)18(2)15-24(3,4)5/h7-14,18,21,25H,6,15-17H2,1-5H3
InChIKeyBUMQPTWUQVPRKN-UHFFFAOYSA-N
XLogP5.61
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.53
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

(2R)-1-(tert-butylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 787572
(2S)-1-(tert-butylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 787574
[(2S)-3-(4-ethylphenoxy)-2-hydroxypropyl]-trimethylazanium
CID 6940355
1-(4-ethylphenyl)-3,3-dimethylbutan-1-ol
CID 61088685
1-(3,3-dimethylbutylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 115581071
1-(4,4-dimethylpentan-2-yl)-4-phenylmethoxybenzene
CID 23566423
1-(4-ethylphenoxy)-3-(methylamino)propan-2-ol
CID 43188012
3-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]-2,3-dimethylbutan-2-ol
CID 106190087
1-[1-(4-ethylphenyl)ethylamino]-3-(4-propan-2-ylphenoxy)propan-2-ol;hydrochloride
CID 138958832
1-(4-ethylphenoxy)-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol
CID 110879453
N-[4-[3-(4-ethylphenoxy)-2-hydroxypropoxy]phenyl]acetamide
CID 42958085
(2S,3S)-3-bromo-1-(4-ethylphenoxy)butan-2-ol
CID 131857038

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,4-dimethylpentan-2-yl)phenoxy]-3-(4-ethylphenoxy)propan-2-ol?
The IUPAC name of 1-[4-(4,4-dimethylpentan-2-yl)phenoxy]-3-(4-ethylphenoxy)propan-2-ol (CID 164877972) is 1-[4-(4,4-dimethylpentan-2-yl)phenoxy]-3-(4-ethylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[4-(4,4-dimethylpentan-2-yl)phenoxy]-3-(4-ethylphenoxy)propan-2-ol?
The canonical SMILES for 1-[4-(4,4-dimethylpentan-2-yl)phenoxy]-3-(4-ethylphenoxy)propan-2-ol is CCc1ccc(OCC(O)COc2ccc(C(C)CC(C)(C)C)cc2)cc1.
What is the InChIKey of 1-[4-(4,4-dimethylpentan-2-yl)phenoxy]-3-(4-ethylphenoxy)propan-2-ol?
The InChIKey is BUMQPTWUQVPRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O3/c1-6-19-7-11-22(12-8-19)26-16-21(25)17-27-23-13-9-20(10-14-23)18(2)15-24(3,4)5/h7-14,18,21,25H,6,15-17H2,1-5H3.
What are the key properties of 1-[4-(4,4-dimethylpentan-2-yl)phenoxy]-3-(4-ethylphenoxy)propan-2-ol?
1-[4-(4,4-dimethylpentan-2-yl)phenoxy]-3-(4-ethylphenoxy)propan-2-ol has a molecular weight of 370.53 g/mol, XLogP of 5.61, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,4-dimethylpentan-2-yl)phenoxy]-3-(4-ethylphenoxy)propan-2-ol is sourced from PubChem (CID 164877972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).