1-(2-methoxy-5-methylphenyl)-2-methylheptan-2-ol

C16H26O2 — CID 80557783

IUPAC1-(2-methoxy-5-methylphenyl)-2-methylheptan-2-ol
SMILESCCCCCC(C)(O)Cc1cc(C)ccc1OC
InChIInChI=1S/C16H26O2/c1-5-6-7-10-16(3,17)12-14-11-13(2)8-9-15(14)18-4/h8-9,11,17H,5-7,10,12H2,1-4H3
InChIKeyVRPGDKGJCUJGEO-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.88
Rot. Bonds7

About 1-(2-methoxy-5-methylphenyl)-2-methylheptan-2-ol

1-(2-methoxy-5-methylphenyl)-2-methylheptan-2-ol (PubChem CID 80557783) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-2-methylheptan-2-ol.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-2-methylheptan-2-ol
PubChem CID80557783
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name1-(2-methoxy-5-methylphenyl)-2-methylheptan-2-ol
SMILESCCCCCC(C)(O)Cc1cc(C)ccc1OC
InChIInChI=1S/C16H26O2/c1-5-6-7-10-16(3,17)12-14-11-13(2)8-9-15(14)18-4/h8-9,11,17H,5-7,10,12H2,1-4H3
InChIKeyVRPGDKGJCUJGEO-UHFFFAOYSA-N
XLogP3.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.88
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

1-methoxy-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol
CID 62534879
1-(5-chloro-2-methoxyphenyl)-2-methylpentan-2-ol
CID 80557519
1-(3-fluorophenyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol
CID 114833348
2-(2,5-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)propan-2-ol
CID 62159640
4-[2-hydroxy-1-(2-methoxy-5-methylphenyl)propan-2-yl]phenol
CID 83075942
1-(2-methoxy-5-methylphenyl)nonan-2-one
CID 114965759
1-(2-methoxy-5-methylphenyl)decan-2-ol
CID 115781450
methyl 2-(aminomethyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropanoate
CID 106487848
4-(2-methoxy-5-methylphenyl)-2,2-dimethylbutanoic acid
CID 65298753
2-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine
CID 63507865
1-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 78927372
1-(2-methoxy-5-methylphenyl)undecan-2-amine
CID 115826519

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-methylheptan-2-ol?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-methylheptan-2-ol (CID 80557783) is 1-(2-methoxy-5-methylphenyl)-2-methylheptan-2-ol.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-2-methylheptan-2-ol?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-2-methylheptan-2-ol is CCCCCC(C)(O)Cc1cc(C)ccc1OC.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-2-methylheptan-2-ol?
The InChIKey is VRPGDKGJCUJGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-5-6-7-10-16(3,17)12-14-11-13(2)8-9-15(14)18-4/h8-9,11,17H,5-7,10,12H2,1-4H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-2-methylheptan-2-ol?
1-(2-methoxy-5-methylphenyl)-2-methylheptan-2-ol has a molecular weight of 250.38 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-2-methylheptan-2-ol is sourced from PubChem (CID 80557783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).