15-[2-(15-hydroxypentadecoxy)phenoxy]pentadecan-1-ol

C36H66O4 — CID 139621951

IUPAC15-[2-(15-hydroxypentadecoxy)phenoxy]pentadecan-1-ol
SMILESOCCCCCCCCCCCCCCCOc1ccccc1OCCCCCCCCCCCCCCCO
InChIInChI=1S/C36H66O4/c37-31-25-19-15-11-7-3-1-5-9-13-17-21-27-33-39-35-29-23-24-30-36(35)40-34-28-22-18-14-10-6-2-4-8-12-16-20-26-32-38/h23-24,29-30,37-38H,1-22,25-28,31-34H2
InChIKeyNCBLGWJRQMBQAL-UHFFFAOYSA-N
MW562.92 g/mol
LogP10.57
Rot. Bonds32

About 15-[2-(15-hydroxypentadecoxy)phenoxy]pentadecan-1-ol

15-[2-(15-hydroxypentadecoxy)phenoxy]pentadecan-1-ol (PubChem CID 139621951) has the molecular formula C36H66O4 and a molecular weight of 562.92 g/mol. Its IUPAC name is 15-[2-(15-hydroxypentadecoxy)phenoxy]pentadecan-1-ol.

Molecular Properties

Compound Name15-[2-(15-hydroxypentadecoxy)phenoxy]pentadecan-1-ol
PubChem CID139621951
Molecular FormulaC36H66O4
Molecular Weight562.92 g/mol
Exact Mass562.50
IUPAC Name15-[2-(15-hydroxypentadecoxy)phenoxy]pentadecan-1-ol
SMILESOCCCCCCCCCCCCCCCOc1ccccc1OCCCCCCCCCCCCCCCO
InChIInChI=1S/C36H66O4/c37-31-25-19-15-11-7-3-1-5-9-13-17-21-27-33-39-35-29-23-24-30-36(35)40-34-28-22-18-14-10-6-2-4-8-12-16-20-26-32-38/h23-24,29-30,37-38H,1-22,25-28,31-34H2
InChIKeyNCBLGWJRQMBQAL-UHFFFAOYSA-N
XLogP10.57
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds32
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.92
LogP ≤ 510.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

11-[2-[2-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol
CID 139835438
4-(2-methoxyphenoxy)butan-1-ol
CID 43510003
11-(2-methylphenoxy)undecan-1-ol
CID 123672662
6-[2-(trifluoromethoxy)phenoxy]hexan-1-ol
CID 104856727
5-[2-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 63364920
4-(2-fluorophenoxy)butan-1-ol
CID 43509993
5-(2-ethylphenoxy)pentan-1-ol
CID 62228052
4-[2,3-bis(4-hydroxybutoxy)phenoxy]butan-1-ol
CID 135239341
2-(16-hydroxyhexadecoxy)benzoic acid
CID 139706131
4-(2-ethenylphenoxy)butan-1-ol
CID 101029392
2-(4-hydroxybutoxy)benzaldehyde
CID 60773519
6-[10-(6-hydroxyhexoxy)anthracen-9-yl]oxyhexan-1-ol
CID 153326321

Frequently Asked Questions

What is the IUPAC name of 15-[2-(15-hydroxypentadecoxy)phenoxy]pentadecan-1-ol?
The IUPAC name of 15-[2-(15-hydroxypentadecoxy)phenoxy]pentadecan-1-ol (CID 139621951) is 15-[2-(15-hydroxypentadecoxy)phenoxy]pentadecan-1-ol.
What is the SMILES notation for 15-[2-(15-hydroxypentadecoxy)phenoxy]pentadecan-1-ol?
The canonical SMILES for 15-[2-(15-hydroxypentadecoxy)phenoxy]pentadecan-1-ol is OCCCCCCCCCCCCCCCOc1ccccc1OCCCCCCCCCCCCCCCO.
What is the InChIKey of 15-[2-(15-hydroxypentadecoxy)phenoxy]pentadecan-1-ol?
The InChIKey is NCBLGWJRQMBQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H66O4/c37-31-25-19-15-11-7-3-1-5-9-13-17-21-27-33-39-35-29-23-24-30-36(35)40-34-28-22-18-14-10-6-2-4-8-12-16-20-26-32-38/h23-24,29-30,37-38H,1-22,25-28,31-34H2.
What are the key properties of 15-[2-(15-hydroxypentadecoxy)phenoxy]pentadecan-1-ol?
15-[2-(15-hydroxypentadecoxy)phenoxy]pentadecan-1-ol has a molecular weight of 562.92 g/mol, XLogP of 10.57, 32 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[2-(15-hydroxypentadecoxy)phenoxy]pentadecan-1-ol is sourced from PubChem (CID 139621951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).