(3-docosoxy-5-methoxyphenyl)methanol

C30H54O3 — CID 155440608

IUPAC(3-docosoxy-5-methoxyphenyl)methanol
SMILESCCCCCCCCCCCCCCCCCCCCCCOc1cc(CO)cc(OC)c1
InChIInChI=1S/C30H54O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33-30-25-28(27-31)24-29(26-30)32-2/h24-26,31H,3-23,27H2,1-2H3
InChIKeyDPERHFWFPCGIRY-UHFFFAOYSA-N
MW462.76 g/mol
LogP9.39
Rot. Bonds24

About (3-docosoxy-5-methoxyphenyl)methanol

(3-docosoxy-5-methoxyphenyl)methanol (PubChem CID 155440608) has the molecular formula C30H54O3 and a molecular weight of 462.76 g/mol. Its IUPAC name is (3-docosoxy-5-methoxyphenyl)methanol.

Molecular Properties

Compound Name(3-docosoxy-5-methoxyphenyl)methanol
PubChem CID155440608
Molecular FormulaC30H54O3
Molecular Weight462.76 g/mol
Exact Mass462.41
IUPAC Name(3-docosoxy-5-methoxyphenyl)methanol
SMILESCCCCCCCCCCCCCCCCCCCCCCOc1cc(CO)cc(OC)c1
InChIInChI=1S/C30H54O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33-30-25-28(27-31)24-29(26-30)32-2/h24-26,31H,3-23,27H2,1-2H3
InChIKeyDPERHFWFPCGIRY-UHFFFAOYSA-N
XLogP9.39
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.76
LogP ≤ 59.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3,5-dipentoxyphenyl)methanol
CID 121005447
[3-(hydroxymethyl)-5-tetradecoxyphenyl]methanol
CID 67507886
[3-(hydroxymethyl)-5-pentoxyphenyl]methanol;propane
CID 169256035
3-(hydroxymethyl)-5-octoxyphenol
CID 59029723
1-[3-(hydroxymethyl)-5-octoxyphenoxy]heptan-2-one
CID 59029684
1-(chloromethyl)-3,5-di(nonoxy)benzene
CID 69306580
2-[3-decoxy-5-(hydroxymethyl)phenyl]acetonitrile
CID 90344302
[3,5-bis[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methanol
CID 101100720
1-butyl-3,5-di(octacosoxy)benzene
CID 91381222
1-butyl-3,5-di(undecoxy)benzene
CID 173166651
1-butyl-3,5-diheptoxybenzene
CID 91325989
(4-heptoxy-3,5-dimethoxyphenyl)methanol
CID 43516772

Frequently Asked Questions

What is the IUPAC name of (3-docosoxy-5-methoxyphenyl)methanol?
The IUPAC name of (3-docosoxy-5-methoxyphenyl)methanol (CID 155440608) is (3-docosoxy-5-methoxyphenyl)methanol.
What is the SMILES notation for (3-docosoxy-5-methoxyphenyl)methanol?
The canonical SMILES for (3-docosoxy-5-methoxyphenyl)methanol is CCCCCCCCCCCCCCCCCCCCCCOc1cc(CO)cc(OC)c1.
What is the InChIKey of (3-docosoxy-5-methoxyphenyl)methanol?
The InChIKey is DPERHFWFPCGIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H54O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33-30-25-28(27-31)24-29(26-30)32-2/h24-26,31H,3-23,27H2,1-2H3.
What are the key properties of (3-docosoxy-5-methoxyphenyl)methanol?
(3-docosoxy-5-methoxyphenyl)methanol has a molecular weight of 462.76 g/mol, XLogP of 9.39, 24 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-docosoxy-5-methoxyphenyl)methanol is sourced from PubChem (CID 155440608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).