3-(3,5-ditert-butyl-2-ethoxyphenyl)propan-1-ol

C19H32O2 — CID 21199253

IUPAC3-(3,5-ditert-butyl-2-ethoxyphenyl)propan-1-ol
SMILESCCOc1c(CCCO)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C19H32O2/c1-8-21-17-14(10-9-11-20)12-15(18(2,3)4)13-16(17)19(5,6)7/h12-13,20H,8-11H2,1-7H3
InChIKeyGZAURVJFRAAMQK-UHFFFAOYSA-N
MW292.46 g/mol
LogP4.61
Rot. Bonds5

About 3-(3,5-ditert-butyl-2-ethoxyphenyl)propan-1-ol

3-(3,5-ditert-butyl-2-ethoxyphenyl)propan-1-ol (PubChem CID 21199253) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is 3-(3,5-ditert-butyl-2-ethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(3,5-ditert-butyl-2-ethoxyphenyl)propan-1-ol
PubChem CID21199253
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name3-(3,5-ditert-butyl-2-ethoxyphenyl)propan-1-ol
SMILESCCOc1c(CCCO)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C19H32O2/c1-8-21-17-14(10-9-11-20)12-15(18(2,3)4)13-16(17)19(5,6)7/h12-13,20H,8-11H2,1-7H3
InChIKeyGZAURVJFRAAMQK-UHFFFAOYSA-N
XLogP4.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.46
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-ditert-butyl-2-ethoxyphenyl)propan-1-ol?
The IUPAC name of 3-(3,5-ditert-butyl-2-ethoxyphenyl)propan-1-ol (CID 21199253) is 3-(3,5-ditert-butyl-2-ethoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-(3,5-ditert-butyl-2-ethoxyphenyl)propan-1-ol?
The canonical SMILES for 3-(3,5-ditert-butyl-2-ethoxyphenyl)propan-1-ol is CCOc1c(CCCO)cc(C(C)(C)C)cc1C(C)(C)C.
What is the InChIKey of 3-(3,5-ditert-butyl-2-ethoxyphenyl)propan-1-ol?
The InChIKey is GZAURVJFRAAMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2/c1-8-21-17-14(10-9-11-20)12-15(18(2,3)4)13-16(17)19(5,6)7/h12-13,20H,8-11H2,1-7H3.
What are the key properties of 3-(3,5-ditert-butyl-2-ethoxyphenyl)propan-1-ol?
3-(3,5-ditert-butyl-2-ethoxyphenyl)propan-1-ol has a molecular weight of 292.46 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-ditert-butyl-2-ethoxyphenyl)propan-1-ol is sourced from PubChem (CID 21199253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).