1-methoxy-5,5-dimethyl-6-(3-methylphenyl)hexane-2,4-diol

C16H26O3 — CID 123606812

IUPAC1-methoxy-5,5-dimethyl-6-(3-methylphenyl)hexane-2,4-diol
SMILESCOCC(O)CC(O)C(C)(C)Cc1cccc(C)c1
InChIInChI=1S/C16H26O3/c1-12-6-5-7-13(8-12)10-16(2,3)15(18)9-14(17)11-19-4/h5-8,14-15,17-18H,9-11H2,1-4H3
InChIKeyRCEWKULOPXECFT-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.32
Rot. Bonds7

About 1-methoxy-5,5-dimethyl-6-(3-methylphenyl)hexane-2,4-diol

1-methoxy-5,5-dimethyl-6-(3-methylphenyl)hexane-2,4-diol (PubChem CID 123606812) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-methoxy-5,5-dimethyl-6-(3-methylphenyl)hexane-2,4-diol.

Molecular Properties

Compound Name1-methoxy-5,5-dimethyl-6-(3-methylphenyl)hexane-2,4-diol
PubChem CID123606812
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name1-methoxy-5,5-dimethyl-6-(3-methylphenyl)hexane-2,4-diol
SMILESCOCC(O)CC(O)C(C)(C)Cc1cccc(C)c1
InChIInChI=1S/C16H26O3/c1-12-6-5-7-13(8-12)10-16(2,3)15(18)9-14(17)11-19-4/h5-8,14-15,17-18H,9-11H2,1-4H3
InChIKeyRCEWKULOPXECFT-UHFFFAOYSA-N
XLogP2.32
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-3-[methyl-[(3-methylphenyl)methyl]amino]propan-2-ol
CID 62015545
4-methoxy-3-methyl-1-(3-methylphenyl)butan-2-ol
CID 115625003
1-[3-methoxypropyl-[(3-methylphenyl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 24714136
(2R)-2-amino-2-methyl-3-(3-methylphenyl)propanamide
CID 101024424
2,3-dimethyl-1-(3-methylphenyl)butan-2-ol
CID 60798225
1,2-bis(3-methylphenyl)propan-2-ol
CID 60798209
2-methyl-2-[(3-methylphenyl)methyl]propane-1,3-diol
CID 79001727
4-methoxy-1-(3-methylphenoxy)butan-2-ol
CID 117236744
(2R)-1-[2-methoxyethyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 93162983
3-[(3-methylphenyl)methylsulfanyl]propane-1,2-diol
CID 79683070
2-(4-chlorophenyl)-1-(3-methylphenyl)propan-2-ol
CID 60799213
1,1-diethoxy-3-(3-methylphenyl)propan-2-ol
CID 79496151

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-5,5-dimethyl-6-(3-methylphenyl)hexane-2,4-diol?
The IUPAC name of 1-methoxy-5,5-dimethyl-6-(3-methylphenyl)hexane-2,4-diol (CID 123606812) is 1-methoxy-5,5-dimethyl-6-(3-methylphenyl)hexane-2,4-diol.
What is the SMILES notation for 1-methoxy-5,5-dimethyl-6-(3-methylphenyl)hexane-2,4-diol?
The canonical SMILES for 1-methoxy-5,5-dimethyl-6-(3-methylphenyl)hexane-2,4-diol is COCC(O)CC(O)C(C)(C)Cc1cccc(C)c1.
What is the InChIKey of 1-methoxy-5,5-dimethyl-6-(3-methylphenyl)hexane-2,4-diol?
The InChIKey is RCEWKULOPXECFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-12-6-5-7-13(8-12)10-16(2,3)15(18)9-14(17)11-19-4/h5-8,14-15,17-18H,9-11H2,1-4H3.
What are the key properties of 1-methoxy-5,5-dimethyl-6-(3-methylphenyl)hexane-2,4-diol?
1-methoxy-5,5-dimethyl-6-(3-methylphenyl)hexane-2,4-diol has a molecular weight of 266.38 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-5,5-dimethyl-6-(3-methylphenyl)hexane-2,4-diol is sourced from PubChem (CID 123606812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).