3-[2-(2-butan-2-yl-6-methylphenyl)phenyl]propan-1-ol

C20H26O — CID 170037206

IUPAC3-[2-(2-butan-2-yl-6-methylphenyl)phenyl]propan-1-ol
SMILESCCC(C)c1cccc(C)c1-c1ccccc1CCCO
InChIInChI=1S/C20H26O/c1-4-15(2)18-13-7-9-16(3)20(18)19-12-6-5-10-17(19)11-8-14-21/h5-7,9-10,12-13,15,21H,4,8,11,14H2,1-3H3
InChIKeyYQNWEKVWBCSMAW-UHFFFAOYSA-N
MW282.43 g/mol
LogP5.10
Rot. Bonds6

About 3-[2-(2-butan-2-yl-6-methylphenyl)phenyl]propan-1-ol

3-[2-(2-butan-2-yl-6-methylphenyl)phenyl]propan-1-ol (PubChem CID 170037206) has the molecular formula C20H26O and a molecular weight of 282.43 g/mol. Its IUPAC name is 3-[2-(2-butan-2-yl-6-methylphenyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-(2-butan-2-yl-6-methylphenyl)phenyl]propan-1-ol
PubChem CID170037206
Molecular FormulaC20H26O
Molecular Weight282.43 g/mol
Exact Mass282.20
IUPAC Name3-[2-(2-butan-2-yl-6-methylphenyl)phenyl]propan-1-ol
SMILESCCC(C)c1cccc(C)c1-c1ccccc1CCCO
InChIInChI=1S/C20H26O/c1-4-15(2)18-13-7-9-16(3)20(18)19-12-6-5-10-17(19)11-8-14-21/h5-7,9-10,12-13,15,21H,4,8,11,14H2,1-3H3
InChIKeyYQNWEKVWBCSMAW-UHFFFAOYSA-N
XLogP5.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-butan-2-yl-6-methylphenyl)phenyl]propan-1-ol?
The IUPAC name of 3-[2-(2-butan-2-yl-6-methylphenyl)phenyl]propan-1-ol (CID 170037206) is 3-[2-(2-butan-2-yl-6-methylphenyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-[2-(2-butan-2-yl-6-methylphenyl)phenyl]propan-1-ol?
The canonical SMILES for 3-[2-(2-butan-2-yl-6-methylphenyl)phenyl]propan-1-ol is CCC(C)c1cccc(C)c1-c1ccccc1CCCO.
What is the InChIKey of 3-[2-(2-butan-2-yl-6-methylphenyl)phenyl]propan-1-ol?
The InChIKey is YQNWEKVWBCSMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O/c1-4-15(2)18-13-7-9-16(3)20(18)19-12-6-5-10-17(19)11-8-14-21/h5-7,9-10,12-13,15,21H,4,8,11,14H2,1-3H3.
What are the key properties of 3-[2-(2-butan-2-yl-6-methylphenyl)phenyl]propan-1-ol?
3-[2-(2-butan-2-yl-6-methylphenyl)phenyl]propan-1-ol has a molecular weight of 282.43 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-butan-2-yl-6-methylphenyl)phenyl]propan-1-ol is sourced from PubChem (CID 170037206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).