3-ethoxy-4,4-dimethyl-1-(4-propan-2-ylphenyl)pentan-2-ol

C18H30O2 — CID 116713429

IUPAC3-ethoxy-4,4-dimethyl-1-(4-propan-2-ylphenyl)pentan-2-ol
SMILESCCOC(C(O)Cc1ccc(C(C)C)cc1)C(C)(C)C
InChIInChI=1S/C18H30O2/c1-7-20-17(18(4,5)6)16(19)12-14-8-10-15(11-9-14)13(2)3/h8-11,13,16-17,19H,7,12H2,1-6H3
InChIKeyYESWHHCOTWCOHO-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.16
Rot. Bonds6

About 3-ethoxy-4,4-dimethyl-1-(4-propan-2-ylphenyl)pentan-2-ol

3-ethoxy-4,4-dimethyl-1-(4-propan-2-ylphenyl)pentan-2-ol (PubChem CID 116713429) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 3-ethoxy-4,4-dimethyl-1-(4-propan-2-ylphenyl)pentan-2-ol.

Molecular Properties

Compound Name3-ethoxy-4,4-dimethyl-1-(4-propan-2-ylphenyl)pentan-2-ol
PubChem CID116713429
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name3-ethoxy-4,4-dimethyl-1-(4-propan-2-ylphenyl)pentan-2-ol
SMILESCCOC(C(O)Cc1ccc(C(C)C)cc1)C(C)(C)C
InChIInChI=1S/C18H30O2/c1-7-20-17(18(4,5)6)16(19)12-14-8-10-15(11-9-14)13(2)3/h8-11,13,16-17,19H,7,12H2,1-6H3
InChIKeyYESWHHCOTWCOHO-UHFFFAOYSA-N
XLogP4.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethoxy-4,4-dimethyl-1-(4-propan-2-ylphenyl)pentan-2-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-(4-propan-2-ylphenyl)pentane-2,3-diol
CID 103454563
1-(4-tert-butylphenyl)-3-ethoxybutan-2-ol
CID 64541572
3-ethoxy-4,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-ol
CID 116713333
1-(2,5-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol
CID 116713299
3,3-dimethyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-ol
CID 83138672
3-ethoxy-1-(4-ethylphenyl)butan-2-ol
CID 64541532
(3R,6S)-2,3,6,7-tetrahydroxy-1,8-bis(4-propan-2-ylphenyl)octane-4,5-dione
CID 54178101
2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-ol
CID 116713426
1-(4-aminophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 106695441
1-(3-chloro-2-fluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol
CID 102857480
3-(4-chlorophenyl)-1,1-diethoxypropan-2-ol
CID 79495652
3-ethoxy-1-(2-methoxyphenyl)-4,4-dimethylpentan-2-ol
CID 116713469

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4,4-dimethyl-1-(4-propan-2-ylphenyl)pentan-2-ol?
The IUPAC name of 3-ethoxy-4,4-dimethyl-1-(4-propan-2-ylphenyl)pentan-2-ol (CID 116713429) is 3-ethoxy-4,4-dimethyl-1-(4-propan-2-ylphenyl)pentan-2-ol.
What is the SMILES notation for 3-ethoxy-4,4-dimethyl-1-(4-propan-2-ylphenyl)pentan-2-ol?
The canonical SMILES for 3-ethoxy-4,4-dimethyl-1-(4-propan-2-ylphenyl)pentan-2-ol is CCOC(C(O)Cc1ccc(C(C)C)cc1)C(C)(C)C.
What is the InChIKey of 3-ethoxy-4,4-dimethyl-1-(4-propan-2-ylphenyl)pentan-2-ol?
The InChIKey is YESWHHCOTWCOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2/c1-7-20-17(18(4,5)6)16(19)12-14-8-10-15(11-9-14)13(2)3/h8-11,13,16-17,19H,7,12H2,1-6H3.
What are the key properties of 3-ethoxy-4,4-dimethyl-1-(4-propan-2-ylphenyl)pentan-2-ol?
3-ethoxy-4,4-dimethyl-1-(4-propan-2-ylphenyl)pentan-2-ol has a molecular weight of 278.44 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4,4-dimethyl-1-(4-propan-2-ylphenyl)pentan-2-ol is sourced from PubChem (CID 116713429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).