2-heptadecyl-6-methoxyphenol

C24H42O2 — CID 10713705

IUPAC2-heptadecyl-6-methoxyphenol
SMILESCCCCCCCCCCCCCCCCCc1cccc(OC)c1O
InChIInChI=1S/C24H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21-23(26-2)24(22)25/h18,20-21,25H,3-17,19H2,1-2H3
InChIKeyBRGGZTIXKSYKFL-UHFFFAOYSA-N
MW362.60 g/mol
LogP7.81
Rot. Bonds17

About 2-heptadecyl-6-methoxyphenol

2-heptadecyl-6-methoxyphenol (PubChem CID 10713705) has the molecular formula C24H42O2 and a molecular weight of 362.60 g/mol. Its IUPAC name is 2-heptadecyl-6-methoxyphenol.

Molecular Properties

Compound Name2-heptadecyl-6-methoxyphenol
PubChem CID10713705
Molecular FormulaC24H42O2
Molecular Weight362.60 g/mol
Exact Mass362.32
IUPAC Name2-heptadecyl-6-methoxyphenol
SMILESCCCCCCCCCCCCCCCCCc1cccc(OC)c1O
InChIInChI=1S/C24H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21-23(26-2)24(22)25/h18,20-21,25H,3-17,19H2,1-2H3
InChIKeyBRGGZTIXKSYKFL-UHFFFAOYSA-N
XLogP7.81
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.60
LogP ≤ 57.81
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-ethoxy-6-heptadecylphenol
CID 10499794
ethane;2-methoxy-6-propylphenol
CID 142869062
2-butyl-6-methoxyphenol;4-methoxyphenol
CID 174399923
1-methoxy-2-(2-methoxy-6-octylphenyl)-3-octylbenzene
CID 15849833
1-methoxy-2-tetradecylbenzene
CID 69169530
2-butyl-6-(3-butyl-2-hydroxyphenoxy)phenol
CID 171777158
2-decyl-6-methoxybenzoic acid
CID 20757679
2-heptadecyl-6-[(3-heptadecyl-2-hydroxyphenyl)methyl]phenol
CID 101275914
2-dodecyl-6-[(3-dodecyl-2-hydroxyphenyl)methyl]phenol
CID 12617723
2-methyl-6-undecylphenol
CID 174998801
2-[(2-hydroxy-3-pentylphenyl)methyl]-6-pentylphenol
CID 101275830
[3-(8-hexoxyoctyl)-2-hydroxyphenyl] hydrogen carbonate
CID 69499033

Frequently Asked Questions

What is the IUPAC name of 2-heptadecyl-6-methoxyphenol?
The IUPAC name of 2-heptadecyl-6-methoxyphenol (CID 10713705) is 2-heptadecyl-6-methoxyphenol.
What is the SMILES notation for 2-heptadecyl-6-methoxyphenol?
The canonical SMILES for 2-heptadecyl-6-methoxyphenol is CCCCCCCCCCCCCCCCCc1cccc(OC)c1O.
What is the InChIKey of 2-heptadecyl-6-methoxyphenol?
The InChIKey is BRGGZTIXKSYKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21-23(26-2)24(22)25/h18,20-21,25H,3-17,19H2,1-2H3.
What are the key properties of 2-heptadecyl-6-methoxyphenol?
2-heptadecyl-6-methoxyphenol has a molecular weight of 362.60 g/mol, XLogP of 7.81, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptadecyl-6-methoxyphenol is sourced from PubChem (CID 10713705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).