(2-tert-butyl-3-ethylphenyl)methanol

C13H20O — CID 158088532

IUPAC(2-tert-butyl-3-ethylphenyl)methanol
SMILESCCc1cccc(CO)c1C(C)(C)C
InChIInChI=1S/C13H20O/c1-5-10-7-6-8-11(9-14)12(10)13(2,3)4/h6-8,14H,5,9H2,1-4H3
InChIKeyQDTXRMCOQDEDGU-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.04
Rot. Bonds2

About (2-tert-butyl-3-ethylphenyl)methanol

(2-tert-butyl-3-ethylphenyl)methanol (PubChem CID 158088532) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is (2-tert-butyl-3-ethylphenyl)methanol.

Molecular Properties

Compound Name(2-tert-butyl-3-ethylphenyl)methanol
PubChem CID158088532
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name(2-tert-butyl-3-ethylphenyl)methanol
SMILESCCc1cccc(CO)c1C(C)(C)C
InChIInChI=1S/C13H20O/c1-5-10-7-6-8-11(9-14)12(10)13(2,3)4/h6-8,14H,5,9H2,1-4H3
InChIKeyQDTXRMCOQDEDGU-UHFFFAOYSA-N
XLogP3.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-3-ethylphenyl)methanol?
The IUPAC name of (2-tert-butyl-3-ethylphenyl)methanol (CID 158088532) is (2-tert-butyl-3-ethylphenyl)methanol.
What is the SMILES notation for (2-tert-butyl-3-ethylphenyl)methanol?
The canonical SMILES for (2-tert-butyl-3-ethylphenyl)methanol is CCc1cccc(CO)c1C(C)(C)C.
What is the InChIKey of (2-tert-butyl-3-ethylphenyl)methanol?
The InChIKey is QDTXRMCOQDEDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-5-10-7-6-8-11(9-14)12(10)13(2,3)4/h6-8,14H,5,9H2,1-4H3.
What are the key properties of (2-tert-butyl-3-ethylphenyl)methanol?
(2-tert-butyl-3-ethylphenyl)methanol has a molecular weight of 192.30 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-3-ethylphenyl)methanol is sourced from PubChem (CID 158088532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).