1-(5-tert-butyl-2-propoxyphenyl)propan-1-ol

C16H26O2 — CID 82264401

IUPAC1-(5-tert-butyl-2-propoxyphenyl)propan-1-ol
SMILESCCCOc1ccc(C(C)(C)C)cc1C(O)CC
InChIInChI=1S/C16H26O2/c1-6-10-18-15-9-8-12(16(3,4)5)11-13(15)14(17)7-2/h8-9,11,14,17H,6-7,10H2,1-5H3
InChIKeyPTMNKBLGNFVCQC-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.22
Rot. Bonds5

About 1-(5-tert-butyl-2-propoxyphenyl)propan-1-ol

1-(5-tert-butyl-2-propoxyphenyl)propan-1-ol (PubChem CID 82264401) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1-(5-tert-butyl-2-propoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(5-tert-butyl-2-propoxyphenyl)propan-1-ol
PubChem CID82264401
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name1-(5-tert-butyl-2-propoxyphenyl)propan-1-ol
SMILESCCCOc1ccc(C(C)(C)C)cc1C(O)CC
InChIInChI=1S/C16H26O2/c1-6-10-18-15-9-8-12(16(3,4)5)11-13(15)14(17)7-2/h8-9,11,14,17H,6-7,10H2,1-5H3
InChIKeyPTMNKBLGNFVCQC-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2-propoxyphenyl)propan-1-ol?
The IUPAC name of 1-(5-tert-butyl-2-propoxyphenyl)propan-1-ol (CID 82264401) is 1-(5-tert-butyl-2-propoxyphenyl)propan-1-ol.
What is the SMILES notation for 1-(5-tert-butyl-2-propoxyphenyl)propan-1-ol?
The canonical SMILES for 1-(5-tert-butyl-2-propoxyphenyl)propan-1-ol is CCCOc1ccc(C(C)(C)C)cc1C(O)CC.
What is the InChIKey of 1-(5-tert-butyl-2-propoxyphenyl)propan-1-ol?
The InChIKey is PTMNKBLGNFVCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-6-10-18-15-9-8-12(16(3,4)5)11-13(15)14(17)7-2/h8-9,11,14,17H,6-7,10H2,1-5H3.
What are the key properties of 1-(5-tert-butyl-2-propoxyphenyl)propan-1-ol?
1-(5-tert-butyl-2-propoxyphenyl)propan-1-ol has a molecular weight of 250.38 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2-propoxyphenyl)propan-1-ol is sourced from PubChem (CID 82264401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).