4-methyl-7-phenoxyheptan-3-ol

C14H22O2 — CID 63562397

IUPAC4-methyl-7-phenoxyheptan-3-ol
SMILESCCC(O)C(C)CCCOc1ccccc1
InChIInChI=1S/C14H22O2/c1-3-14(15)12(2)8-7-11-16-13-9-5-4-6-10-13/h4-6,9-10,12,14-15H,3,7-8,11H2,1-2H3
InChIKeyJUGXYHPPXZUOQZ-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.25
Rot. Bonds7

About 4-methyl-7-phenoxyheptan-3-ol

4-methyl-7-phenoxyheptan-3-ol (PubChem CID 63562397) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-methyl-7-phenoxyheptan-3-ol.

Molecular Properties

Compound Name4-methyl-7-phenoxyheptan-3-ol
PubChem CID63562397
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name4-methyl-7-phenoxyheptan-3-ol
SMILESCCC(O)C(C)CCCOc1ccccc1
InChIInChI=1S/C14H22O2/c1-3-14(15)12(2)8-7-11-16-13-9-5-4-6-10-13/h4-6,9-10,12,14-15H,3,7-8,11H2,1-2H3
InChIKeyJUGXYHPPXZUOQZ-UHFFFAOYSA-N
XLogP3.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethyl-6-phenoxyhexanoic acid
CID 81008154
4-methyl-8-phenyloctan-3-ol
CID 114334468
4-methyl-7-phenoxy-N-propylheptan-3-amine
CID 63560800
2-ethyl-5-phenoxypentanoic acid
CID 62936111
10-methyldodecoxybenzene
CID 143389992
(1R)-1-[4-(3-phenoxypropoxy)phenyl]propan-1-ol
CID 63365592
6-phenoxyhexane-1,3-diol
CID 71343394
1-(4-methylpentoxy)-4-phenoxybenzene
CID 118535405
(3R)-1-phenoxyhexan-3-ol
CID 102063151
1,5-diphenoxypentan-3-ol
CID 5314309
(2R)-1-(3-phenoxypropoxy)butan-2-ol
CID 158011713
1-[methyl(3-phenoxypropyl)amino]butan-2-ol
CID 142108769

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-phenoxyheptan-3-ol?
The IUPAC name of 4-methyl-7-phenoxyheptan-3-ol (CID 63562397) is 4-methyl-7-phenoxyheptan-3-ol.
What is the SMILES notation for 4-methyl-7-phenoxyheptan-3-ol?
The canonical SMILES for 4-methyl-7-phenoxyheptan-3-ol is CCC(O)C(C)CCCOc1ccccc1.
What is the InChIKey of 4-methyl-7-phenoxyheptan-3-ol?
The InChIKey is JUGXYHPPXZUOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-3-14(15)12(2)8-7-11-16-13-9-5-4-6-10-13/h4-6,9-10,12,14-15H,3,7-8,11H2,1-2H3.
What are the key properties of 4-methyl-7-phenoxyheptan-3-ol?
4-methyl-7-phenoxyheptan-3-ol has a molecular weight of 222.33 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-phenoxyheptan-3-ol is sourced from PubChem (CID 63562397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).