4-methyl-1-(3-methylphenyl)-3-phenylhexan-2-ol

C20H26O — CID 114978141

IUPAC4-methyl-1-(3-methylphenyl)-3-phenylhexan-2-ol
SMILESCCC(C)C(c1ccccc1)C(O)Cc1cccc(C)c1
InChIInChI=1S/C20H26O/c1-4-16(3)20(18-11-6-5-7-12-18)19(21)14-17-10-8-9-15(2)13-17/h5-13,16,19-21H,4,14H2,1-3H3
InChIKeyAXTBDPSEHGCNPX-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.73
Rot. Bonds6

About 4-methyl-1-(3-methylphenyl)-3-phenylhexan-2-ol

4-methyl-1-(3-methylphenyl)-3-phenylhexan-2-ol (PubChem CID 114978141) has the molecular formula C20H26O and a molecular weight of 282.43 g/mol. Its IUPAC name is 4-methyl-1-(3-methylphenyl)-3-phenylhexan-2-ol.

Molecular Properties

Compound Name4-methyl-1-(3-methylphenyl)-3-phenylhexan-2-ol
PubChem CID114978141
Molecular FormulaC20H26O
Molecular Weight282.43 g/mol
Exact Mass282.20
IUPAC Name4-methyl-1-(3-methylphenyl)-3-phenylhexan-2-ol
SMILESCCC(C)C(c1ccccc1)C(O)Cc1cccc(C)c1
InChIInChI=1S/C20H26O/c1-4-16(3)20(18-11-6-5-7-12-18)19(21)14-17-10-8-9-15(2)13-17/h5-13,16,19-21H,4,14H2,1-3H3
InChIKeyAXTBDPSEHGCNPX-UHFFFAOYSA-N
XLogP4.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-3-phenyl-1-pyridin-4-ylhexan-2-ol
CID 115814018
1-(4-bromophenyl)-4-methyl-3-phenylhexan-2-ol
CID 114977568
1,1-diethoxy-3-(3-methylphenyl)propan-2-ol
CID 79496151
4-methoxy-3-methyl-1-(3-methylphenyl)butan-2-ol
CID 115625003
3-methyl-4-(3-methylphenyl)butan-2-ol
CID 22157927
3-ethoxy-1-(3-methylphenyl)pentan-2-ol
CID 116711208
3-methyl-1-(3-methylphenyl)pentan-2-amine
CID 62388327
2,4-bis(3-methylphenyl)butane-1,3-diol
CID 67076649
(1R)-2-[[(2R)-1-(3-methylphenyl)propan-2-yl]amino]-1-phenylethanol
CID 54165466
1-methyl-3-[(2S,4S)-2-methyl-4-phenylpentyl]benzene
CID 159443260
6-methyl-5-phenyloct-1-yn-4-ol
CID 115839991
3-(3-methylphenyl)pentan-2-ol
CID 130543430

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-methylphenyl)-3-phenylhexan-2-ol?
The IUPAC name of 4-methyl-1-(3-methylphenyl)-3-phenylhexan-2-ol (CID 114978141) is 4-methyl-1-(3-methylphenyl)-3-phenylhexan-2-ol.
What is the SMILES notation for 4-methyl-1-(3-methylphenyl)-3-phenylhexan-2-ol?
The canonical SMILES for 4-methyl-1-(3-methylphenyl)-3-phenylhexan-2-ol is CCC(C)C(c1ccccc1)C(O)Cc1cccc(C)c1.
What is the InChIKey of 4-methyl-1-(3-methylphenyl)-3-phenylhexan-2-ol?
The InChIKey is AXTBDPSEHGCNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O/c1-4-16(3)20(18-11-6-5-7-12-18)19(21)14-17-10-8-9-15(2)13-17/h5-13,16,19-21H,4,14H2,1-3H3.
What are the key properties of 4-methyl-1-(3-methylphenyl)-3-phenylhexan-2-ol?
4-methyl-1-(3-methylphenyl)-3-phenylhexan-2-ol has a molecular weight of 282.43 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-methylphenyl)-3-phenylhexan-2-ol is sourced from PubChem (CID 114978141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).