2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-ol

C18H30O2 — CID 116713426

IUPAC2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-ol
SMILESCCOC(C(O)c1cccc(CC(C)C)c1)C(C)(C)C
InChIInChI=1S/C18H30O2/c1-7-20-17(18(4,5)6)16(19)15-10-8-9-14(12-15)11-13(2)3/h8-10,12-13,16-17,19H,7,11H2,1-6H3
InChIKeyQDVIKBZGCBBHFP-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.37
Rot. Bonds6

About 2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-ol

2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-ol (PubChem CID 116713426) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-ol.

Molecular Properties

Compound Name2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-ol
PubChem CID116713426
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-ol
SMILESCCOC(C(O)c1cccc(CC(C)C)c1)C(C)(C)C
InChIInChI=1S/C18H30O2/c1-7-20-17(18(4,5)6)16(19)15-10-8-9-14(12-15)11-13(2)3/h8-10,12-13,16-17,19H,7,11H2,1-6H3
InChIKeyQDVIKBZGCBBHFP-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-ol
CID 116713134
2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116725223
2,2-diethoxy-1-[3-(2-methylpropyl)phenyl]ethanol
CID 116543713
2-ethoxy-3-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116720818
1-ethoxy-2-[3-(1-hydroxyethyl)phenyl]ethanol
CID 175219861
3-ethoxy-4,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-ol
CID 116713333
2-methoxy-N,3,3-trimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116724427
2,2-diethoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 116544752
(3-ethoxyphenyl)-[3-(2-methylpropyl)phenyl]methanol
CID 116542374
2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanol
CID 116543527
(4-ethoxyphenyl)-[3-(2-methylpropyl)phenyl]methanol
CID 116542362
3-ethoxy-1-(3-fluorophenyl)-4,4-dimethylpentan-2-amine
CID 116725273

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-ol?
The IUPAC name of 2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-ol (CID 116713426) is 2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-ol.
What is the SMILES notation for 2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-ol?
The canonical SMILES for 2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-ol is CCOC(C(O)c1cccc(CC(C)C)c1)C(C)(C)C.
What is the InChIKey of 2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-ol?
The InChIKey is QDVIKBZGCBBHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2/c1-7-20-17(18(4,5)6)16(19)15-10-8-9-14(12-15)11-13(2)3/h8-10,12-13,16-17,19H,7,11H2,1-6H3.
What are the key properties of 2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-ol?
2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-ol has a molecular weight of 278.44 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-ol is sourced from PubChem (CID 116713426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).