2-[(3-methoxyphenyl)methyl]octan-1-ol

C16H26O2 — CID 66058454

IUPAC2-[(3-methoxyphenyl)methyl]octan-1-ol
SMILESCCCCCCC(CO)Cc1cccc(OC)c1
InChIInChI=1S/C16H26O2/c1-3-4-5-6-8-15(13-17)11-14-9-7-10-16(12-14)18-2/h7,9-10,12,15,17H,3-6,8,11,13H2,1-2H3
InChIKeyYSOVXUUIBBSWKX-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.82
Rot. Bonds9

About 2-[(3-methoxyphenyl)methyl]octan-1-ol

2-[(3-methoxyphenyl)methyl]octan-1-ol (PubChem CID 66058454) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl]octan-1-ol.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl]octan-1-ol
PubChem CID66058454
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name2-[(3-methoxyphenyl)methyl]octan-1-ol
SMILESCCCCCCC(CO)Cc1cccc(OC)c1
InChIInChI=1S/C16H26O2/c1-3-4-5-6-8-15(13-17)11-14-9-7-10-16(12-14)18-2/h7,9-10,12,15,17H,3-6,8,11,13H2,1-2H3
InChIKeyYSOVXUUIBBSWKX-UHFFFAOYSA-N
XLogP3.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.82
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

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CID 113474719
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2-[(4-methoxyphenyl)methyl]heptan-1-ol
CID 66060559
2-benzyloctadecan-1-ol
CID 67814123
N-ethyl-1-(3-methoxyphenyl)octan-2-amine
CID 62602505
1-methoxy-3-nonadecylbenzene
CID 154507578
1-methoxy-3-(2-methoxyhexyl)benzene
CID 122208727
1-(3-methoxyphenyl)pentan-2-ol
CID 61261615
2-[(3-methoxyphenyl)methyl]-3-thiophen-3-ylpropan-1-ol
CID 66060150
2-[(4-methylphenyl)methyl]undecan-1-ol
CID 66059453
(2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol
CID 28804581
2-(furan-2-ylmethyl)-3-(3-methoxyphenyl)propan-1-ol
CID 66058670

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl]octan-1-ol?
The IUPAC name of 2-[(3-methoxyphenyl)methyl]octan-1-ol (CID 66058454) is 2-[(3-methoxyphenyl)methyl]octan-1-ol.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl]octan-1-ol?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl]octan-1-ol is CCCCCCC(CO)Cc1cccc(OC)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl]octan-1-ol?
The InChIKey is YSOVXUUIBBSWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-3-4-5-6-8-15(13-17)11-14-9-7-10-16(12-14)18-2/h7,9-10,12,15,17H,3-6,8,11,13H2,1-2H3.
What are the key properties of 2-[(3-methoxyphenyl)methyl]octan-1-ol?
2-[(3-methoxyphenyl)methyl]octan-1-ol has a molecular weight of 250.38 g/mol, XLogP of 3.82, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl]octan-1-ol is sourced from PubChem (CID 66058454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).