(3,4-diethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol

C18H28O — CID 115482596

IUPAC(3,4-diethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol
SMILESCCc1ccc(C(O)C2C(C)(C)C2(C)C)cc1CC
InChIInChI=1S/C18H28O/c1-7-12-9-10-14(11-13(12)8-2)15(19)16-17(3,4)18(16,5)6/h9-11,15-16,19H,7-8H2,1-6H3
InChIKeyKYRDDWMQJSUKIU-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.53
Rot. Bonds4

About (3,4-diethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol

(3,4-diethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol (PubChem CID 115482596) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is (3,4-diethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol.

Molecular Properties

Compound Name(3,4-diethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol
PubChem CID115482596
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name(3,4-diethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol
SMILESCCc1ccc(C(O)C2C(C)(C)C2(C)C)cc1CC
InChIInChI=1S/C18H28O/c1-7-12-9-10-14(11-13(12)8-2)15(19)16-17(3,4)18(16,5)6/h9-11,15-16,19H,7-8H2,1-6H3
InChIKeyKYRDDWMQJSUKIU-UHFFFAOYSA-N
XLogP4.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3,4-diethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol?
The IUPAC name of (3,4-diethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol (CID 115482596) is (3,4-diethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol.
What is the SMILES notation for (3,4-diethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol?
The canonical SMILES for (3,4-diethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol is CCc1ccc(C(O)C2C(C)(C)C2(C)C)cc1CC.
What is the InChIKey of (3,4-diethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol?
The InChIKey is KYRDDWMQJSUKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-7-12-9-10-14(11-13(12)8-2)15(19)16-17(3,4)18(16,5)6/h9-11,15-16,19H,7-8H2,1-6H3.
What are the key properties of (3,4-diethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol?
(3,4-diethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol has a molecular weight of 260.42 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol is sourced from PubChem (CID 115482596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).