6-methyl-1-(3-methylphenoxy)heptan-3-ol

C15H24O2 — CID 105085561

IUPAC6-methyl-1-(3-methylphenoxy)heptan-3-ol
SMILESCc1cccc(OCCC(O)CCC(C)C)c1
InChIInChI=1S/C15H24O2/c1-12(2)7-8-14(16)9-10-17-15-6-4-5-13(3)11-15/h4-6,11-12,14,16H,7-10H2,1-3H3
InChIKeyDUFNAFYDNLTNSO-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.56
Rot. Bonds7

About 6-methyl-1-(3-methylphenoxy)heptan-3-ol

6-methyl-1-(3-methylphenoxy)heptan-3-ol (PubChem CID 105085561) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 6-methyl-1-(3-methylphenoxy)heptan-3-ol.

Molecular Properties

Compound Name6-methyl-1-(3-methylphenoxy)heptan-3-ol
PubChem CID105085561
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name6-methyl-1-(3-methylphenoxy)heptan-3-ol
SMILESCc1cccc(OCCC(O)CCC(C)C)c1
InChIInChI=1S/C15H24O2/c1-12(2)7-8-14(16)9-10-17-15-6-4-5-13(3)11-15/h4-6,11-12,14,16H,7-10H2,1-3H3
InChIKeyDUFNAFYDNLTNSO-UHFFFAOYSA-N
XLogP3.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-1-(3-methylphenoxy)hept-6-en-3-ol
CID 105127429
5-methyl-1-(3-methylphenoxy)octan-3-ol
CID 105089801
1-(3-methylphenoxy)hex-5-en-3-ol
CID 105081716
[6-methyl-1-(3-methylphenoxy)heptan-3-yl]hydrazine
CID 105294303
1-(3-methylphenoxy)-5-thiophen-3-ylpentan-3-ol
CID 105097903
4-methoxy-1-(3-methylphenoxy)butan-2-ol
CID 117236744
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
4-(3-methylphenoxy)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-ol
CID 105107906
1-(5-fluoro-2-methylphenyl)-4-(3-methylphenoxy)butan-2-ol
CID 105377568
4-methyl-1-(3-methylphenoxy)hexan-3-amine
CID 105170434
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
4,6-dimethyl-1-(3-methylphenoxy)heptan-3-one
CID 114285005

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(3-methylphenoxy)heptan-3-ol?
The IUPAC name of 6-methyl-1-(3-methylphenoxy)heptan-3-ol (CID 105085561) is 6-methyl-1-(3-methylphenoxy)heptan-3-ol.
What is the SMILES notation for 6-methyl-1-(3-methylphenoxy)heptan-3-ol?
The canonical SMILES for 6-methyl-1-(3-methylphenoxy)heptan-3-ol is Cc1cccc(OCCC(O)CCC(C)C)c1.
What is the InChIKey of 6-methyl-1-(3-methylphenoxy)heptan-3-ol?
The InChIKey is DUFNAFYDNLTNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-12(2)7-8-14(16)9-10-17-15-6-4-5-13(3)11-15/h4-6,11-12,14,16H,7-10H2,1-3H3.
What are the key properties of 6-methyl-1-(3-methylphenoxy)heptan-3-ol?
6-methyl-1-(3-methylphenoxy)heptan-3-ol has a molecular weight of 236.35 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(3-methylphenoxy)heptan-3-ol is sourced from PubChem (CID 105085561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).