2-(2-methoxyphenyl)-3-methylhexan-2-ol

C14H22O2 — CID 107892512

IUPAC2-(2-methoxyphenyl)-3-methylhexan-2-ol
SMILESCCCC(C)C(C)(O)c1ccccc1OC
InChIInChI=1S/C14H22O2/c1-5-8-11(2)14(3,15)12-9-6-7-10-13(12)16-4/h6-7,9-11,15H,5,8H2,1-4H3
InChIKeyBLYJPQAROKSCPS-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.34
Rot. Bonds5

About 2-(2-methoxyphenyl)-3-methylhexan-2-ol

2-(2-methoxyphenyl)-3-methylhexan-2-ol (PubChem CID 107892512) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-3-methylhexan-2-ol.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-3-methylhexan-2-ol
PubChem CID107892512
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-(2-methoxyphenyl)-3-methylhexan-2-ol
SMILESCCCC(C)C(C)(O)c1ccccc1OC
InChIInChI=1S/C14H22O2/c1-5-8-11(2)14(3,15)12-9-6-7-10-13(12)16-4/h6-7,9-11,15H,5,8H2,1-4H3
InChIKeyBLYJPQAROKSCPS-UHFFFAOYSA-N
XLogP3.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-3-(2-methoxyphenyl)-2-methylbutanenitrile
CID 79130467
(2S)-2-(2-methoxyphenyl)butan-2-ol
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(2S)-1,1-bis(2-methoxyphenyl)propane-1,2-diol
CID 7707238
2-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 591994
4-ethyl-2-(2-methoxyphenyl)octan-2-ol
CID 63407220
2-(3-methoxyphenyl)-3-methylhexan-2-ol
CID 107892511
3-(2-methoxyphenyl)-2,2,4,4-tetramethylpentan-3-ol
CID 606344
1-methoxy-2-(2-methylundecan-2-yl)benzene
CID 56625929
2-[1-(2-ethoxyphenyl)-1-hydroxyethyl]pentanoic acid
CID 83043570
ethyl 2-[1-(2-ethoxyphenyl)-1-hydroxyethyl]pentanoate
CID 83039272
ethyl 2-(2-methoxyphenyl)-2-(propan-2-ylamino)propanoate
CID 54918153
(2S)-2-amino-2-(2-methoxyphenyl)propan-1-ol
CID 55277390

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-3-methylhexan-2-ol?
The IUPAC name of 2-(2-methoxyphenyl)-3-methylhexan-2-ol (CID 107892512) is 2-(2-methoxyphenyl)-3-methylhexan-2-ol.
What is the SMILES notation for 2-(2-methoxyphenyl)-3-methylhexan-2-ol?
The canonical SMILES for 2-(2-methoxyphenyl)-3-methylhexan-2-ol is CCCC(C)C(C)(O)c1ccccc1OC.
What is the InChIKey of 2-(2-methoxyphenyl)-3-methylhexan-2-ol?
The InChIKey is BLYJPQAROKSCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-5-8-11(2)14(3,15)12-9-6-7-10-13(12)16-4/h6-7,9-11,15H,5,8H2,1-4H3.
What are the key properties of 2-(2-methoxyphenyl)-3-methylhexan-2-ol?
2-(2-methoxyphenyl)-3-methylhexan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-3-methylhexan-2-ol is sourced from PubChem (CID 107892512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).