1,3-dimethoxypropan-2-ol;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene

C22H32O3 — CID 159253549

IUPAC1,3-dimethoxypropan-2-ol;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
SMILESCOCC(O)COC.Cc1ccc(C(C)(C)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H20.C5H12O3/c1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;1-7-3-5(6)4-8-2/h5-12H,1-4H3;5-6H,3-4H2,1-2H3
InChIKeyKVPIYJZRPOOCKS-UHFFFAOYSA-N
MW344.50 g/mol
LogP4.27
Rot. Bonds6

About 1,3-dimethoxypropan-2-ol;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene

1,3-dimethoxypropan-2-ol;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene (PubChem CID 159253549) has the molecular formula C22H32O3 and a molecular weight of 344.50 g/mol. Its IUPAC name is 1,3-dimethoxypropan-2-ol;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene.

Molecular Properties

Compound Name1,3-dimethoxypropan-2-ol;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
PubChem CID159253549
Molecular FormulaC22H32O3
Molecular Weight344.50 g/mol
Exact Mass344.24
IUPAC Name1,3-dimethoxypropan-2-ol;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
SMILESCOCC(O)COC.Cc1ccc(C(C)(C)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H20.C5H12O3/c1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;1-7-3-5(6)4-8-2/h5-12H,1-4H3;5-6H,3-4H2,1-2H3
InChIKeyKVPIYJZRPOOCKS-UHFFFAOYSA-N
XLogP4.27
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis[4-[2-[4-(2-methoxyethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 20661045
(2R)-1-methoxy-3-(4-methylanilino)propan-2-ol
CID 1078645
1-[4-[2-[4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]-3-methoxypropan-2-ol
CID 59664378
1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;2-[2-(2-methylpropoxy)ethoxy]ethanol
CID 171512659
1-[2-[2-hydroxy-3-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]propoxy]-6-methoxyphenyl]ethanone
CID 59385644
4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenol
CID 58381771
1-(4-tert-butylphenoxy)-3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol;2-[(4-methylphenoxy)methyl]oxirane
CID 159135741
ethane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
CID 145481867
1-[1,1-bis(4-methylphenyl)ethyl]-4-[2-(4-methylphenyl)propan-2-yl]benzene
CID 20734477
(2S)-1-[4-[2-[4-[(2S)-2-hydroxy-3-phenoxypropoxy]phenyl]propan-2-yl]phenoxy]-3-phenoxypropan-2-ol
CID 92974246
(2S)-1-[4-[2-[4-[(2R)-2-hydroxy-3-phenoxypropoxy]phenyl]propan-2-yl]phenoxy]-3-phenoxypropan-2-ol
CID 92974245
butane;methane;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;propane
CID 159232750

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxypropan-2-ol;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene?
The IUPAC name of 1,3-dimethoxypropan-2-ol;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene (CID 159253549) is 1,3-dimethoxypropan-2-ol;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene.
What is the SMILES notation for 1,3-dimethoxypropan-2-ol;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene?
The canonical SMILES for 1,3-dimethoxypropan-2-ol;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene is COCC(O)COC.Cc1ccc(C(C)(C)c2ccc(C)cc2)cc1.
What is the InChIKey of 1,3-dimethoxypropan-2-ol;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene?
The InChIKey is KVPIYJZRPOOCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20.C5H12O3/c1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;1-7-3-5(6)4-8-2/h5-12H,1-4H3;5-6H,3-4H2,1-2H3.
What are the key properties of 1,3-dimethoxypropan-2-ol;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene?
1,3-dimethoxypropan-2-ol;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene has a molecular weight of 344.50 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxypropan-2-ol;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene is sourced from PubChem (CID 159253549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).