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

C14H22O3 — CID 103454840

IUPAC1-(2-methoxy-5-methylphenyl)hexane-2,3-diol
SMILESCCCC(O)C(O)Cc1cc(C)ccc1OC
InChIInChI=1S/C14H22O3/c1-4-5-12(15)13(16)9-11-8-10(2)6-7-14(11)17-3/h6-8,12-13,15-16H,4-5,9H2,1-3H3
InChIKeyCSRNLARXWQHGIF-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.07
Rot. Bonds6

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

1-(2-methoxy-5-methylphenyl)hexane-2,3-diol (PubChem CID 103454840) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)hexane-2,3-diol.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)hexane-2,3-diol
PubChem CID103454840
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name1-(2-methoxy-5-methylphenyl)hexane-2,3-diol
SMILESCCCC(O)C(O)Cc1cc(C)ccc1OC
InChIInChI=1S/C14H22O3/c1-4-5-12(15)13(16)9-11-8-10(2)6-7-14(11)17-3/h6-8,12-13,15-16H,4-5,9H2,1-3H3
InChIKeyCSRNLARXWQHGIF-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

3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-2-ol
CID 63895461
1-(2-methoxy-5-methylphenyl)decan-2-ol
CID 115781450
4-methoxy-1-(2-methoxy-5-methylphenyl)butan-2-ol
CID 62161184
2-(2-methoxy-5-methylphenyl)octane-4,5-diol
CID 83933104
1,2-bis(2-methoxy-5-methylphenyl)ethanol
CID 115781516
butane;1-methoxy-4-methyl-2-(2-methylbutyl)benzene
CID 144898289
1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-ol
CID 62161527
1-(2-methoxy-5-methylphenyl)undecan-2-amine
CID 115826519
1-(5-chloro-2-methoxyphenyl)-3-propylhexan-2-ol
CID 115788751
3-ethoxy-1-(2-methoxy-5-methylphenyl)hexan-2-amine
CID 116717547
2-[(2-methoxy-5-methylphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
CID 63496934
1-methoxy-4-methyl-2-(3-methyl-2-propan-2-ylbutyl)benzene
CID 171593330

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)hexane-2,3-diol?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)hexane-2,3-diol (CID 103454840) is 1-(2-methoxy-5-methylphenyl)hexane-2,3-diol.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)hexane-2,3-diol?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)hexane-2,3-diol is CCCC(O)C(O)Cc1cc(C)ccc1OC.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)hexane-2,3-diol?
The InChIKey is CSRNLARXWQHGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-4-5-12(15)13(16)9-11-8-10(2)6-7-14(11)17-3/h6-8,12-13,15-16H,4-5,9H2,1-3H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)hexane-2,3-diol?
1-(2-methoxy-5-methylphenyl)hexane-2,3-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-(2-methoxy-5-methylphenyl)hexane-2,3-diol is sourced from PubChem (CID 103454840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).