3-(3-tert-butyl-5-ethyl-2-methoxyphenyl)propan-1-ol

C16H26O2 — CID 117379902

IUPAC3-(3-tert-butyl-5-ethyl-2-methoxyphenyl)propan-1-ol
SMILESCCc1cc(CCCO)c(OC)c(C(C)(C)C)c1
InChIInChI=1S/C16H26O2/c1-6-12-10-13(8-7-9-17)15(18-5)14(11-12)16(2,3)4/h10-11,17H,6-9H2,1-5H3
InChIKeyDFDCUDOLGLZTFU-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.48
Rot. Bonds5

About 3-(3-tert-butyl-5-ethyl-2-methoxyphenyl)propan-1-ol

3-(3-tert-butyl-5-ethyl-2-methoxyphenyl)propan-1-ol (PubChem CID 117379902) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 3-(3-tert-butyl-5-ethyl-2-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(3-tert-butyl-5-ethyl-2-methoxyphenyl)propan-1-ol
PubChem CID117379902
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name3-(3-tert-butyl-5-ethyl-2-methoxyphenyl)propan-1-ol
SMILESCCc1cc(CCCO)c(OC)c(C(C)(C)C)c1
InChIInChI=1S/C16H26O2/c1-6-12-10-13(8-7-9-17)15(18-5)14(11-12)16(2,3)4/h10-11,17H,6-9H2,1-5H3
InChIKeyDFDCUDOLGLZTFU-UHFFFAOYSA-N
XLogP3.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-ditert-butyl-5-ethyl-2-methoxybenzene;ethane
CID 143616670
1-(3-tert-butyl-5-ethyl-2-methoxyphenyl)-2-methylpropan-2-amine
CID 117413884
1-[3-tert-butyl-5-(4-hydroxybutyl)-4-methoxyphenyl]propan-1-one
CID 143842730
2-hydroxyethyl 3-(3-tert-butyl-5-ethyl-4-methoxyphenyl)propanoate
CID 21199855
3-(5-tert-butyl-2-methoxy-3-methylphenyl)propan-1-ol
CID 21199608
3-(3,5-ditert-butyl-2-ethoxyphenyl)propan-1-ol
CID 21199253
2-(3-tert-butyl-5-ethyl-2-methoxyphenyl)propan-2-amine
CID 117377712
3-[(3,5-ditert-butyl-4-methoxyphenyl)methoxy]propan-1-ol
CID 21199268
3-(5-ethyl-2-methoxyphenyl)propan-1-ol
CID 94680036
3-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)propan-1-ol
CID 117400675
3-(3-chloro-5-ethyl-4-methoxyphenyl)propan-1-ol
CID 117329608
4-(3-tert-butyl-2-methoxy-5-methylphenyl)butan-1-amine
CID 95460977

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-5-ethyl-2-methoxyphenyl)propan-1-ol?
The IUPAC name of 3-(3-tert-butyl-5-ethyl-2-methoxyphenyl)propan-1-ol (CID 117379902) is 3-(3-tert-butyl-5-ethyl-2-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-(3-tert-butyl-5-ethyl-2-methoxyphenyl)propan-1-ol?
The canonical SMILES for 3-(3-tert-butyl-5-ethyl-2-methoxyphenyl)propan-1-ol is CCc1cc(CCCO)c(OC)c(C(C)(C)C)c1.
What is the InChIKey of 3-(3-tert-butyl-5-ethyl-2-methoxyphenyl)propan-1-ol?
The InChIKey is DFDCUDOLGLZTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-6-12-10-13(8-7-9-17)15(18-5)14(11-12)16(2,3)4/h10-11,17H,6-9H2,1-5H3.
What are the key properties of 3-(3-tert-butyl-5-ethyl-2-methoxyphenyl)propan-1-ol?
3-(3-tert-butyl-5-ethyl-2-methoxyphenyl)propan-1-ol has a molecular weight of 250.38 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-5-ethyl-2-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 117379902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).