3-methoxy-1-(3-methoxyphenyl)hexan-2-ol

C14H22O3 — CID 116711612

IUPAC3-methoxy-1-(3-methoxyphenyl)hexan-2-ol
SMILESCCCC(OC)C(O)Cc1cccc(OC)c1
InChIInChI=1S/C14H22O3/c1-4-6-14(17-3)13(15)10-11-7-5-8-12(9-11)16-2/h5,7-9,13-15H,4,6,10H2,1-3H3
InChIKeyULRMCPJXMLENJP-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.41
Rot. Bonds7

About 3-methoxy-1-(3-methoxyphenyl)hexan-2-ol

3-methoxy-1-(3-methoxyphenyl)hexan-2-ol (PubChem CID 116711612) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-methoxy-1-(3-methoxyphenyl)hexan-2-ol.

Molecular Properties

Compound Name3-methoxy-1-(3-methoxyphenyl)hexan-2-ol
PubChem CID116711612
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name3-methoxy-1-(3-methoxyphenyl)hexan-2-ol
SMILESCCCC(OC)C(O)Cc1cccc(OC)c1
InChIInChI=1S/C14H22O3/c1-4-6-14(17-3)13(15)10-11-7-5-8-12(9-11)16-2/h5,7-9,13-15H,4,6,10H2,1-3H3
InChIKeyULRMCPJXMLENJP-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)pentan-2-ol
CID 61261615
(2S)-1-(3-methoxyphenyl)pentan-2-amine
CID 89063549
1-methoxy-3-(3-methoxyphenyl)-1-phenylpropan-2-ol
CID 116757004
1-methoxy-3-(2-methoxyhexyl)benzene
CID 122208727
1-(2,6-dichlorophenyl)-3-methoxyhexan-2-ol
CID 116711728
1-methoxy-3-(2-methoxypropyl)benzene
CID 56987806
(2S)-1-[benzyl-[(3-methoxyphenyl)methyl]amino]pentan-2-ol
CID 93162073
1-(3-methoxyphenyl)-4-phenylbutan-2-ol
CID 55136240
5-(3-methoxyphenyl)-4-methylpentan-2-ol
CID 64721891
4-(3-methoxyphenyl)-3-methylbutan-1-amine
CID 79002230
5-chloro-1-(3-methoxyphenyl)pentan-2-ol
CID 66046833
1-(3-methoxyphenyl)-3-methylpentane-2,3-diol
CID 103448604

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(3-methoxyphenyl)hexan-2-ol?
The IUPAC name of 3-methoxy-1-(3-methoxyphenyl)hexan-2-ol (CID 116711612) is 3-methoxy-1-(3-methoxyphenyl)hexan-2-ol.
What is the SMILES notation for 3-methoxy-1-(3-methoxyphenyl)hexan-2-ol?
The canonical SMILES for 3-methoxy-1-(3-methoxyphenyl)hexan-2-ol is CCCC(OC)C(O)Cc1cccc(OC)c1.
What is the InChIKey of 3-methoxy-1-(3-methoxyphenyl)hexan-2-ol?
The InChIKey is ULRMCPJXMLENJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-4-6-14(17-3)13(15)10-11-7-5-8-12(9-11)16-2/h5,7-9,13-15H,4,6,10H2,1-3H3.
What are the key properties of 3-methoxy-1-(3-methoxyphenyl)hexan-2-ol?
3-methoxy-1-(3-methoxyphenyl)hexan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(3-methoxyphenyl)hexan-2-ol is sourced from PubChem (CID 116711612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).