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

C14H22O3 — CID 83936503

IUPAC1-(4-methoxy-2-methylphenyl)hexane-3,4-diol
SMILESCCC(O)C(O)CCc1ccc(OC)cc1C
InChIInChI=1S/C14H22O3/c1-4-13(15)14(16)8-6-11-5-7-12(17-3)9-10(11)2/h5,7,9,13-16H,4,6,8H2,1-3H3
InChIKeyNULIJOUKGPTAHU-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.07
Rot. Bonds6

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

1-(4-methoxy-2-methylphenyl)hexane-3,4-diol (PubChem CID 83936503) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylphenyl)hexane-3,4-diol.

Molecular Properties

Compound Name1-(4-methoxy-2-methylphenyl)hexane-3,4-diol
PubChem CID83936503
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name1-(4-methoxy-2-methylphenyl)hexane-3,4-diol
SMILESCCC(O)C(O)CCc1ccc(OC)cc1C
InChIInChI=1S/C14H22O3/c1-4-13(15)14(16)8-6-11-5-7-12(17-3)9-10(11)2/h5,7,9,13-16H,4,6,8H2,1-3H3
InChIKeyNULIJOUKGPTAHU-UHFFFAOYSA-N
XLogP2.07
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloropentyl)-4-methoxy-2-methylbenzene
CID 65316392
1-(4-methoxy-2-methylphenyl)-4,4-dimethylpentan-3-ol
CID 65316028
1-(2-methyl-4-phenoxyphenyl)heptane-3,4-diol
CID 83937321
(2R)-1-(4-methoxy-2-methylphenyl)propan-2-ol
CID 97009148
ethane;1-ethyl-4-methoxy-2-methylbenzene
CID 142129466
1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-3-ol
CID 102878488
(1R,2S)-1-amino-1-(4-methoxy-2-methylphenyl)butan-2-ol
CID 171265166
carbanide;1-ethyl-4-methoxy-2-methylbenzene;yttrium
CID 161093717
1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 13147116
6-(4-methoxy-2-methylphenyl)-2-methylhexan-3-amine
CID 83936392
1-(4-ethoxy-2,3-dimethylphenyl)hexane-3,4-diol
CID 83939907
1-hex-5-ynyl-4-methoxy-2-methylbenzene
CID 86231947

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylphenyl)hexane-3,4-diol?
The IUPAC name of 1-(4-methoxy-2-methylphenyl)hexane-3,4-diol (CID 83936503) is 1-(4-methoxy-2-methylphenyl)hexane-3,4-diol.
What is the SMILES notation for 1-(4-methoxy-2-methylphenyl)hexane-3,4-diol?
The canonical SMILES for 1-(4-methoxy-2-methylphenyl)hexane-3,4-diol is CCC(O)C(O)CCc1ccc(OC)cc1C.
What is the InChIKey of 1-(4-methoxy-2-methylphenyl)hexane-3,4-diol?
The InChIKey is NULIJOUKGPTAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-4-13(15)14(16)8-6-11-5-7-12(17-3)9-10(11)2/h5,7,9,13-16H,4,6,8H2,1-3H3.
What are the key properties of 1-(4-methoxy-2-methylphenyl)hexane-3,4-diol?
1-(4-methoxy-2-methylphenyl)hexane-3,4-diol has a molecular weight of 238.33 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methylphenyl)hexane-3,4-diol is sourced from PubChem (CID 83936503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).