6-[(3-methoxyphenyl)methoxy]hexan-3-one

C14H20O3 — CID 106801987

IUPAC6-[(3-methoxyphenyl)methoxy]hexan-3-one
SMILESCCC(=O)CCCOCc1cccc(OC)c1
InChIInChI=1S/C14H20O3/c1-3-13(15)7-5-9-17-11-12-6-4-8-14(10-12)16-2/h4,6,8,10H,3,5,7,9,11H2,1-2H3
InChIKeyGGHPCLUBTUVZJV-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.97
Rot. Bonds8

About 6-[(3-methoxyphenyl)methoxy]hexan-3-one

6-[(3-methoxyphenyl)methoxy]hexan-3-one (PubChem CID 106801987) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 6-[(3-methoxyphenyl)methoxy]hexan-3-one.

Molecular Properties

Compound Name6-[(3-methoxyphenyl)methoxy]hexan-3-one
PubChem CID106801987
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name6-[(3-methoxyphenyl)methoxy]hexan-3-one
SMILESCCC(=O)CCCOCc1cccc(OC)c1
InChIInChI=1S/C14H20O3/c1-3-13(15)7-5-9-17-11-12-6-4-8-14(10-12)16-2/h4,6,8,10H,3,5,7,9,11H2,1-2H3
InChIKeyGGHPCLUBTUVZJV-UHFFFAOYSA-N
XLogP2.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[(3-bromophenyl)methoxy]hexan-3-one
CID 106802152
5-ethoxy-1-(3-methoxyphenyl)pentan-2-one
CID 105088612
1-(9-bromononoxymethyl)-3-methoxybenzene
CID 105343271
1-cyclopropyl-2-[(3-methoxyphenyl)methoxy]ethanone
CID 63907495
6-(3-methoxyphenyl)sulfanylhexan-3-one
CID 104623576
N'-hydroxy-5-[(3-methoxyphenyl)methoxy]pentanimidamide
CID 109374643
1-(3-methoxyphenyl)heptan-4-one
CID 64502649
1-(3-methoxyphenyl)heptan-2-one
CID 61056670
5-[(3-methoxyphenyl)methoxy]pentanimidamide
CID 54966332
(3-methoxyphenyl)methyl pentanoate
CID 78789338
2-[(3-methoxyphenyl)methoxy]ethanamine;hydrochloride
CID 71757143
5-hydroxy-1-(3-methoxyphenyl)pentan-2-one
CID 106677432

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methoxyphenyl)methoxy]hexan-3-one?
The IUPAC name of 6-[(3-methoxyphenyl)methoxy]hexan-3-one (CID 106801987) is 6-[(3-methoxyphenyl)methoxy]hexan-3-one.
What is the SMILES notation for 6-[(3-methoxyphenyl)methoxy]hexan-3-one?
The canonical SMILES for 6-[(3-methoxyphenyl)methoxy]hexan-3-one is CCC(=O)CCCOCc1cccc(OC)c1.
What is the InChIKey of 6-[(3-methoxyphenyl)methoxy]hexan-3-one?
The InChIKey is GGHPCLUBTUVZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-3-13(15)7-5-9-17-11-12-6-4-8-14(10-12)16-2/h4,6,8,10H,3,5,7,9,11H2,1-2H3.
What are the key properties of 6-[(3-methoxyphenyl)methoxy]hexan-3-one?
6-[(3-methoxyphenyl)methoxy]hexan-3-one has a molecular weight of 236.31 g/mol, XLogP of 2.97, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methoxyphenyl)methoxy]hexan-3-one is sourced from PubChem (CID 106801987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).