1-(3-methoxyphenoxy)-5-methylhexan-2-ol

C14H22O3 — CID 157099262

IUPAC1-(3-methoxyphenoxy)-5-methylhexan-2-ol
SMILESCOc1cccc(OCC(O)CCC(C)C)c1
InChIInChI=1S/C14H22O3/c1-11(2)7-8-12(15)10-17-14-6-4-5-13(9-14)16-3/h4-6,9,11-12,15H,7-8,10H2,1-3H3
InChIKeyIYAMRWJHYHZECT-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.87
Rot. Bonds7

About 1-(3-methoxyphenoxy)-5-methylhexan-2-ol

1-(3-methoxyphenoxy)-5-methylhexan-2-ol (PubChem CID 157099262) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(3-methoxyphenoxy)-5-methylhexan-2-ol.

Molecular Properties

Compound Name1-(3-methoxyphenoxy)-5-methylhexan-2-ol
PubChem CID157099262
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name1-(3-methoxyphenoxy)-5-methylhexan-2-ol
SMILESCOc1cccc(OCC(O)CCC(C)C)c1
InChIInChI=1S/C14H22O3/c1-11(2)7-8-12(15)10-17-14-6-4-5-13(9-14)16-3/h4-6,9,11-12,15H,7-8,10H2,1-3H3
InChIKeyIYAMRWJHYHZECT-UHFFFAOYSA-N
XLogP2.87
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-iodo-3-(3-methoxyphenoxy)propan-2-ol
CID 86028408
1-(3-aminophenoxy)-3-(3-methoxyphenoxy)propan-2-ol
CID 62269535
(2S)-1-[[(2S)-3,3-dimethylbutan-2-yl]amino]-3-(3-methoxyphenoxy)propan-2-ol
CID 39826278
3-hydroxy-4-(3-methoxyphenoxy)butanenitrile
CID 13010437
1-(1-hydroxypropan-2-ylamino)-3-(3-methoxyphenoxy)propan-2-ol
CID 60909725
3-methoxy-1-(3-methoxyphenoxy)-3-methylbutan-2-ol
CID 114228799
1-[benzyl-[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-3-(3-methoxyphenoxy)propan-2-ol
CID 132585804
2-hydroxy-3-(3-methoxyphenoxy)propanoic acid
CID 105465737
1-methoxy-3-(3,7,11,15-tetramethylhexadecoxy)benzene
CID 141321330
1-(2,2-difluoroethylamino)-3-(3-methoxyphenoxy)propan-2-ol
CID 115406734
N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-N-methylsulfamate
CID 3706704
2-ethyl-2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]butan-1-ol
CID 62518668

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenoxy)-5-methylhexan-2-ol?
The IUPAC name of 1-(3-methoxyphenoxy)-5-methylhexan-2-ol (CID 157099262) is 1-(3-methoxyphenoxy)-5-methylhexan-2-ol.
What is the SMILES notation for 1-(3-methoxyphenoxy)-5-methylhexan-2-ol?
The canonical SMILES for 1-(3-methoxyphenoxy)-5-methylhexan-2-ol is COc1cccc(OCC(O)CCC(C)C)c1.
What is the InChIKey of 1-(3-methoxyphenoxy)-5-methylhexan-2-ol?
The InChIKey is IYAMRWJHYHZECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-11(2)7-8-12(15)10-17-14-6-4-5-13(9-14)16-3/h4-6,9,11-12,15H,7-8,10H2,1-3H3.
What are the key properties of 1-(3-methoxyphenoxy)-5-methylhexan-2-ol?
1-(3-methoxyphenoxy)-5-methylhexan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenoxy)-5-methylhexan-2-ol is sourced from PubChem (CID 157099262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).