1-[4-(4-methylphenyl)phenoxy]decan-1-ol

C23H32O2 — CID 175704689

IUPAC1-[4-(4-methylphenyl)phenoxy]decan-1-ol
SMILESCCCCCCCCCC(O)Oc1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C23H32O2/c1-3-4-5-6-7-8-9-10-23(24)25-22-17-15-21(16-18-22)20-13-11-19(2)12-14-20/h11-18,23-24H,3-10H2,1-2H3
InChIKeyXAKHXOYQAGSXTO-UHFFFAOYSA-N
MW340.51 g/mol
LogP6.50
Rot. Bonds11

About 1-[4-(4-methylphenyl)phenoxy]decan-1-ol

1-[4-(4-methylphenyl)phenoxy]decan-1-ol (PubChem CID 175704689) has the molecular formula C23H32O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is 1-[4-(4-methylphenyl)phenoxy]decan-1-ol.

Molecular Properties

Compound Name1-[4-(4-methylphenyl)phenoxy]decan-1-ol
PubChem CID175704689
Molecular FormulaC23H32O2
Molecular Weight340.51 g/mol
Exact Mass340.24
IUPAC Name1-[4-(4-methylphenyl)phenoxy]decan-1-ol
SMILESCCCCCCCCCC(O)Oc1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C23H32O2/c1-3-4-5-6-7-8-9-10-23(24)25-22-17-15-21(16-18-22)20-13-11-19(2)12-14-20/h11-18,23-24H,3-10H2,1-2H3
InChIKeyXAKHXOYQAGSXTO-UHFFFAOYSA-N
XLogP6.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[4-(1-hydroxyhexoxy)phenyl]phenol
CID 22712995
1-phenoxyhexadecan-1-ol
CID 140512988
1-methyl-4-tetradecan-2-yloxybenzene
CID 54164810
4-(1-hydroxyundecoxy)benzamide
CID 67763427
1-[(2R)-octan-2-yl]oxy-4-[4-[(2R)-octan-2-yl]oxyphenyl]benzene
CID 139721951
1-(4-octylphenoxy)pentane-1,5-diol
CID 67675377
octane;octan-2-ol;bis(1,4-xylene)
CID 161441445
4-(4-octan-2-yloxyphenyl)phenol
CID 14419509
4-[4-[(2S)-octan-2-yl]oxyphenyl]phenol
CID 14419511
(1R,2S)-1-(4-methylphenyl)nonane-1,2-diol
CID 15778520
1-hydroxydecyl 4-methylbenzenesulfonate
CID 22601185
decane;1-methyl-4-(4-methylphenoxy)benzene;octane
CID 90840251

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylphenyl)phenoxy]decan-1-ol?
The IUPAC name of 1-[4-(4-methylphenyl)phenoxy]decan-1-ol (CID 175704689) is 1-[4-(4-methylphenyl)phenoxy]decan-1-ol.
What is the SMILES notation for 1-[4-(4-methylphenyl)phenoxy]decan-1-ol?
The canonical SMILES for 1-[4-(4-methylphenyl)phenoxy]decan-1-ol is CCCCCCCCCC(O)Oc1ccc(-c2ccc(C)cc2)cc1.
What is the InChIKey of 1-[4-(4-methylphenyl)phenoxy]decan-1-ol?
The InChIKey is XAKHXOYQAGSXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O2/c1-3-4-5-6-7-8-9-10-23(24)25-22-17-15-21(16-18-22)20-13-11-19(2)12-14-20/h11-18,23-24H,3-10H2,1-2H3.
What are the key properties of 1-[4-(4-methylphenyl)phenoxy]decan-1-ol?
1-[4-(4-methylphenyl)phenoxy]decan-1-ol has a molecular weight of 340.51 g/mol, XLogP of 6.50, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylphenyl)phenoxy]decan-1-ol is sourced from PubChem (CID 175704689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).