11-(2-methylphenoxy)undecan-1-ol

C18H30O2 — CID 123672662

IUPAC11-(2-methylphenoxy)undecan-1-ol
SMILESCc1ccccc1OCCCCCCCCCCCO
InChIInChI=1S/C18H30O2/c1-17-13-9-10-14-18(17)20-16-12-8-6-4-2-3-5-7-11-15-19/h9-10,13-14,19H,2-8,11-12,15-16H2,1H3
InChIKeyGUGILRSQIQTGPB-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.88
Rot. Bonds12

About 11-(2-methylphenoxy)undecan-1-ol

11-(2-methylphenoxy)undecan-1-ol (PubChem CID 123672662) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 11-(2-methylphenoxy)undecan-1-ol.

Molecular Properties

Compound Name11-(2-methylphenoxy)undecan-1-ol
PubChem CID123672662
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name11-(2-methylphenoxy)undecan-1-ol
SMILESCc1ccccc1OCCCCCCCCCCCO
InChIInChI=1S/C18H30O2/c1-17-13-9-10-14-18(17)20-16-12-8-6-4-2-3-5-7-11-15-19/h9-10,13-14,19H,2-8,11-12,15-16H2,1H3
InChIKeyGUGILRSQIQTGPB-UHFFFAOYSA-N
XLogP4.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.88
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

15-[2-(15-hydroxypentadecoxy)phenoxy]pentadecan-1-ol
CID 139621951
1-methyl-2-pentadecoxybenzene
CID 154641785
6-(2,6-dimethylphenoxy)hexan-1-ol
CID 103801792
11-[2-[2-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol
CID 139835438
7-(2-methylphenoxy)heptanoic acid
CID 92930643
ethane;1-methyl-2-pentoxybenzene
CID 143283195
4-(2-methoxyphenoxy)butan-1-ol
CID 43510003
4-(2-methylphenoxy)butane-1-thiol
CID 2063623
5-(2-ethylphenoxy)pentan-1-ol
CID 62228052
2-[methyl-[3-(2-methylphenoxy)propyl]amino]ethanol
CID 110908229
[2-[2-(2-methylphenoxy)ethoxy]phenyl]methanol
CID 86767907
N-ethyl-5-(2-methylphenoxy)pentan-1-amine
CID 62452397

Frequently Asked Questions

What is the IUPAC name of 11-(2-methylphenoxy)undecan-1-ol?
The IUPAC name of 11-(2-methylphenoxy)undecan-1-ol (CID 123672662) is 11-(2-methylphenoxy)undecan-1-ol.
What is the SMILES notation for 11-(2-methylphenoxy)undecan-1-ol?
The canonical SMILES for 11-(2-methylphenoxy)undecan-1-ol is Cc1ccccc1OCCCCCCCCCCCO.
What is the InChIKey of 11-(2-methylphenoxy)undecan-1-ol?
The InChIKey is GUGILRSQIQTGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2/c1-17-13-9-10-14-18(17)20-16-12-8-6-4-2-3-5-7-11-15-19/h9-10,13-14,19H,2-8,11-12,15-16H2,1H3.
What are the key properties of 11-(2-methylphenoxy)undecan-1-ol?
11-(2-methylphenoxy)undecan-1-ol has a molecular weight of 278.44 g/mol, XLogP of 4.88, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2-methylphenoxy)undecan-1-ol is sourced from PubChem (CID 123672662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).