2-[(4-methoxyphenyl)methyl]heptan-1-ol

C15H24O2 — CID 66060559

IUPAC2-[(4-methoxyphenyl)methyl]heptan-1-ol
SMILESCCCCCC(CO)Cc1ccc(OC)cc1
InChIInChI=1S/C15H24O2/c1-3-4-5-6-14(12-16)11-13-7-9-15(17-2)10-8-13/h7-10,14,16H,3-6,11-12H2,1-2H3
InChIKeyRJPQTTIBLTWDEF-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.43
Rot. Bonds8

About 2-[(4-methoxyphenyl)methyl]heptan-1-ol

2-[(4-methoxyphenyl)methyl]heptan-1-ol (PubChem CID 66060559) has the molecular formula C15H24O2 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]heptan-1-ol.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]heptan-1-ol
PubChem CID66060559
Molecular FormulaC15H24O2
Molecular Weight236.36 g/mol
Exact Mass236.18
IUPAC Name2-[(4-methoxyphenyl)methyl]heptan-1-ol
SMILESCCCCCC(CO)Cc1ccc(OC)cc1
InChIInChI=1S/C15H24O2/c1-3-4-5-6-14(12-16)11-13-7-9-15(17-2)10-8-13/h7-10,14,16H,3-6,11-12H2,1-2H3
InChIKeyRJPQTTIBLTWDEF-UHFFFAOYSA-N
XLogP3.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.43
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

4-ethyl-2-[(4-methoxyphenyl)methyl]octan-1-ol
CID 66058427
1-[2-(bromomethyl)undecyl]-4-methoxybenzene
CID 66041899
2-[(4-methoxyphenyl)methyl]propane-1,3-diol
CID 11008852
2-[(3-methoxyphenyl)methyl]octan-1-ol
CID 66058454
2-[(4-methylphenyl)methyl]undecan-1-ol
CID 66059453
(2R)-2-[(4-methoxyphenyl)methoxymethyl]hexan-1-ol
CID 101173431
4-ethoxy-2-[(4-methoxyphenyl)methyl]butan-1-ol
CID 66058011
1-(4-methoxyphenyl)nonan-2-ol
CID 62608606
2-benzyloctadecan-1-ol
CID 67814123
1-methoxy-4-[[4-(2-propylnonyl)phenoxy]methyl]benzene
CID 142632649
1-(4-methoxyphenyl)heptan-2-amine
CID 61079044
2-[(4-methoxyphenyl)methyl]-N-methylhexan-1-amine
CID 55083396

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]heptan-1-ol?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]heptan-1-ol (CID 66060559) is 2-[(4-methoxyphenyl)methyl]heptan-1-ol.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]heptan-1-ol?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]heptan-1-ol is CCCCCC(CO)Cc1ccc(OC)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]heptan-1-ol?
The InChIKey is RJPQTTIBLTWDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-3-4-5-6-14(12-16)11-13-7-9-15(17-2)10-8-13/h7-10,14,16H,3-6,11-12H2,1-2H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]heptan-1-ol?
2-[(4-methoxyphenyl)methyl]heptan-1-ol has a molecular weight of 236.36 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]heptan-1-ol is sourced from PubChem (CID 66060559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).