1-(2,5-dimethylphenyl)-1-phenylbutan-2-ol

C18H22O — CID 79299341

IUPAC1-(2,5-dimethylphenyl)-1-phenylbutan-2-ol
SMILESCCC(O)C(c1ccccc1)c1cc(C)ccc1C
InChIInChI=1S/C18H22O/c1-4-17(19)18(15-8-6-5-7-9-15)16-12-13(2)10-11-14(16)3/h5-12,17-19H,4H2,1-3H3
InChIKeySBDHTNXJYGJPFD-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.21
Rot. Bonds4

About 1-(2,5-dimethylphenyl)-1-phenylbutan-2-ol

1-(2,5-dimethylphenyl)-1-phenylbutan-2-ol (PubChem CID 79299341) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-1-phenylbutan-2-ol.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-1-phenylbutan-2-ol
PubChem CID79299341
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name1-(2,5-dimethylphenyl)-1-phenylbutan-2-ol
SMILESCCC(O)C(c1ccccc1)c1cc(C)ccc1C
InChIInChI=1S/C18H22O/c1-4-17(19)18(15-8-6-5-7-9-15)16-12-13(2)10-11-14(16)3/h5-12,17-19H,4H2,1-3H3
InChIKeySBDHTNXJYGJPFD-UHFFFAOYSA-N
XLogP4.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dimethylphenyl)-N-ethyl-1-phenylpropan-2-amine
CID 66437881
2-(2-bromo-3-methyl-1-phenylbutyl)-1,4-dimethylbenzene
CID 79297893
1-(2,5-dimethylphenyl)-1-phenylbutan-2-one
CID 79307352
2-(2-chloro-1-phenylethyl)-1,4-dimethylbenzene
CID 66436960
1-(2,5-dimethylphenyl)-2-ethylbutan-1-ol
CID 61088457
N-[1-(2,5-dimethylphenyl)ethyl]-2-phenylbutanamide
CID 17327188
N-[2-(2,5-dimethylphenyl)-2-phenylethyl]propan-1-amine
CID 66438254
2-[[(2,5-dimethylphenyl)-phenylmethyl]amino]ethanol
CID 43151186
3-(dimethylamino)-1-(2-methylphenyl)-1-phenylpropan-2-ol
CID 12549089
(3-bromophenyl)-(2,5-dimethylphenyl)methanol
CID 61089224
(2,4-dimethylphenyl)-phenylmethanol
CID 3807153
2-[[(2,5-dimethylphenyl)-phenylmethyl]amino]acetic acid
CID 43135171

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-1-phenylbutan-2-ol?
The IUPAC name of 1-(2,5-dimethylphenyl)-1-phenylbutan-2-ol (CID 79299341) is 1-(2,5-dimethylphenyl)-1-phenylbutan-2-ol.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-1-phenylbutan-2-ol?
The canonical SMILES for 1-(2,5-dimethylphenyl)-1-phenylbutan-2-ol is CCC(O)C(c1ccccc1)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-1-phenylbutan-2-ol?
The InChIKey is SBDHTNXJYGJPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-4-17(19)18(15-8-6-5-7-9-15)16-12-13(2)10-11-14(16)3/h5-12,17-19H,4H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-1-phenylbutan-2-ol?
1-(2,5-dimethylphenyl)-1-phenylbutan-2-ol has a molecular weight of 254.37 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-1-phenylbutan-2-ol is sourced from PubChem (CID 79299341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).