(2-docosoxy-4-methoxyphenyl)methanol

C30H54O3 — CID 53257210

IUPAC(2-docosoxy-4-methoxyphenyl)methanol
SMILESCCCCCCCCCCCCCCCCCCCCCCOc1cc(OC)ccc1CO
InChIInChI=1S/C30H54O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-33-30-26-29(32-2)24-23-28(30)27-31/h23-24,26,31H,3-22,25,27H2,1-2H3
InChIKeyCHUSHIJGMWONTD-UHFFFAOYSA-N
MW462.76 g/mol
LogP9.39
Rot. Bonds24

About (2-docosoxy-4-methoxyphenyl)methanol

(2-docosoxy-4-methoxyphenyl)methanol (PubChem CID 53257210) has the molecular formula C30H54O3 and a molecular weight of 462.76 g/mol. Its IUPAC name is (2-docosoxy-4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(2-docosoxy-4-methoxyphenyl)methanol
PubChem CID53257210
Molecular FormulaC30H54O3
Molecular Weight462.76 g/mol
Exact Mass462.41
IUPAC Name(2-docosoxy-4-methoxyphenyl)methanol
SMILESCCCCCCCCCCCCCCCCCCCCCCOc1cc(OC)ccc1CO
InChIInChI=1S/C30H54O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-33-30-26-29(32-2)24-23-28(30)27-31/h23-24,26,31H,3-22,25,27H2,1-2H3
InChIKeyCHUSHIJGMWONTD-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

(2,4-dipentoxyphenyl)methanol
CID 54794877
1-(chloromethyl)-2-decoxy-4-methoxybenzene
CID 63534859
(2-hept-6-enoxy-4-methoxyphenyl)methanol
CID 107007477
(2-ethoxy-4-methoxyphenyl)methanol
CID 61267380
[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]methanol
CID 106726179
[2-dodecoxy-4-[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]methanol
CID 159571460
[4-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methanol
CID 54957551
2-(2-butoxy-4-methoxyphenyl)ethanamine
CID 20985365
1-(2-heptoxy-4-methoxyphenyl)ethanol
CID 82001545
1-(chloromethyl)-2-heptoxy-4-propoxybenzene
CID 43472305
(2-octoxyphenyl)methanol
CID 43128604
3-[2-(hydroxymethyl)-5-methoxyphenoxy]-N,N-dimethylpropanamide
CID 61269047

Frequently Asked Questions

What is the IUPAC name of (2-docosoxy-4-methoxyphenyl)methanol?
The IUPAC name of (2-docosoxy-4-methoxyphenyl)methanol (CID 53257210) is (2-docosoxy-4-methoxyphenyl)methanol.
What is the SMILES notation for (2-docosoxy-4-methoxyphenyl)methanol?
The canonical SMILES for (2-docosoxy-4-methoxyphenyl)methanol is CCCCCCCCCCCCCCCCCCCCCCOc1cc(OC)ccc1CO.
What is the InChIKey of (2-docosoxy-4-methoxyphenyl)methanol?
The InChIKey is CHUSHIJGMWONTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H54O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-33-30-26-29(32-2)24-23-28(30)27-31/h23-24,26,31H,3-22,25,27H2,1-2H3.
What are the key properties of (2-docosoxy-4-methoxyphenyl)methanol?
(2-docosoxy-4-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 (2-docosoxy-4-methoxyphenyl)methanol is sourced from PubChem (CID 53257210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).