1-(3,5-dimethylphenyl)-1-[3-(2-methylpropyl)phenyl]ethanol

C20H26O — CID 116542789

IUPAC1-(3,5-dimethylphenyl)-1-[3-(2-methylpropyl)phenyl]ethanol
SMILESCc1cc(C)cc(C(C)(O)c2cccc(CC(C)C)c2)c1
InChIInChI=1S/C20H26O/c1-14(2)9-17-7-6-8-18(13-17)20(5,21)19-11-15(3)10-16(4)12-19/h6-8,10-14,21H,9H2,1-5H3
InChIKeyFQPSNYDGUJGHCH-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.76
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-1-[3-(2-methylpropyl)phenyl]ethanol

1-(3,5-dimethylphenyl)-1-[3-(2-methylpropyl)phenyl]ethanol (PubChem CID 116542789) has the molecular formula C20H26O and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-1-[3-(2-methylpropyl)phenyl]ethanol.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-1-[3-(2-methylpropyl)phenyl]ethanol
PubChem CID116542789
Molecular FormulaC20H26O
Molecular Weight282.43 g/mol
Exact Mass282.20
IUPAC Name1-(3,5-dimethylphenyl)-1-[3-(2-methylpropyl)phenyl]ethanol
SMILESCc1cc(C)cc(C(C)(O)c2cccc(CC(C)C)c2)c1
InChIInChI=1S/C20H26O/c1-14(2)9-17-7-6-8-18(13-17)20(5,21)19-11-15(3)10-16(4)12-19/h6-8,10-14,21H,9H2,1-5H3
InChIKeyFQPSNYDGUJGHCH-UHFFFAOYSA-N
XLogP4.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanol
CID 116542275
1-(3,5-dimethylphenyl)-1-(3-propylphenyl)ethanol
CID 116542790
2-[3-(2-methylpropyl)phenyl]-1-phenylpropan-2-ol
CID 116542343
2-[3-(2-methylpropyl)phenyl]butan-2-ol
CID 116542302
1-amino-2-[3-(2-methylpropyl)phenyl]propan-2-ol
CID 116542792
2-[3-(2-methylpropyl)phenyl]-1-(propan-2-ylamino)propan-2-ol
CID 116546306
2-[3-(2-methylpropyl)phenyl]-1-phenylpropan-2-amine
CID 116542994
1-methyl-4-[2-[3-(2-methylpropyl)phenyl]propan-2-ylsulfanyl]benzene
CID 123934266
1-cyclopropyl-2-[3-(2-methylpropyl)phenyl]propan-2-ol
CID 116542889
2,2-difluoro-2-[3-(2-methylpropyl)phenyl]ethanol
CID 105425775
2,2-difluoro-2-[3-(2-methylpropyl)phenyl]acetic acid
CID 116545513
3-(3-tert-butylphenyl)-2-methylpropan-1-ol
CID 53466403

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-1-[3-(2-methylpropyl)phenyl]ethanol?
The IUPAC name of 1-(3,5-dimethylphenyl)-1-[3-(2-methylpropyl)phenyl]ethanol (CID 116542789) is 1-(3,5-dimethylphenyl)-1-[3-(2-methylpropyl)phenyl]ethanol.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-1-[3-(2-methylpropyl)phenyl]ethanol?
The canonical SMILES for 1-(3,5-dimethylphenyl)-1-[3-(2-methylpropyl)phenyl]ethanol is Cc1cc(C)cc(C(C)(O)c2cccc(CC(C)C)c2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-1-[3-(2-methylpropyl)phenyl]ethanol?
The InChIKey is FQPSNYDGUJGHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O/c1-14(2)9-17-7-6-8-18(13-17)20(5,21)19-11-15(3)10-16(4)12-19/h6-8,10-14,21H,9H2,1-5H3.
What are the key properties of 1-(3,5-dimethylphenyl)-1-[3-(2-methylpropyl)phenyl]ethanol?
1-(3,5-dimethylphenyl)-1-[3-(2-methylpropyl)phenyl]ethanol has a molecular weight of 282.43 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-1-[3-(2-methylpropyl)phenyl]ethanol is sourced from PubChem (CID 116542789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).