2-undecylnaphthalen-1-ol

C21H30O — CID 139729579

IUPAC2-undecylnaphthalen-1-ol
SMILESCCCCCCCCCCCc1ccc2ccccc2c1O
InChIInChI=1S/C21H30O/c1-2-3-4-5-6-7-8-9-10-14-19-17-16-18-13-11-12-15-20(18)21(19)22/h11-13,15-17,22H,2-10,14H2,1H3
InChIKeyUSPZSBVUDXIQQV-UHFFFAOYSA-N
MW298.47 g/mol
LogP6.62
Rot. Bonds10

About 2-undecylnaphthalen-1-ol

2-undecylnaphthalen-1-ol (PubChem CID 139729579) has the molecular formula C21H30O and a molecular weight of 298.47 g/mol. Its IUPAC name is 2-undecylnaphthalen-1-ol.

Molecular Properties

Compound Name2-undecylnaphthalen-1-ol
PubChem CID139729579
Molecular FormulaC21H30O
Molecular Weight298.47 g/mol
Exact Mass298.23
IUPAC Name2-undecylnaphthalen-1-ol
SMILESCCCCCCCCCCCc1ccc2ccccc2c1O
InChIInChI=1S/C21H30O/c1-2-3-4-5-6-7-8-9-10-14-19-17-16-18-13-11-12-15-20(18)21(19)22/h11-13,15-17,22H,2-10,14H2,1H3
InChIKeyUSPZSBVUDXIQQV-UHFFFAOYSA-N
XLogP6.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.47
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-hexadecylnaphthalen-1-amine
CID 57354886
3-pentylnaphthalene-1,2-diol
CID 14529620
7-nonylquinolin-1-ium-8-ol
CID 5063082
1,2-didecylnaphthalene
CID 22410831
2-decyl-1-methylnaphthalene
CID 154261310
1,2-di(icosyl)naphthalene
CID 90782201
2-hexyl-1-propylnaphthalene
CID 173300538
CID 66933436
CID 66933436
CID 162312155
CID 162312155
10-(1-hydroxynaphthalen-2-yl)decanoic acid
CID 151914986
1-tetradecylnaphthalene
CID 14402128
1-heptyl-4-[3-(4-heptylnaphthalen-1-yl)propyl]naphthalene
CID 157140020

Frequently Asked Questions

What is the IUPAC name of 2-undecylnaphthalen-1-ol?
The IUPAC name of 2-undecylnaphthalen-1-ol (CID 139729579) is 2-undecylnaphthalen-1-ol.
What is the SMILES notation for 2-undecylnaphthalen-1-ol?
The canonical SMILES for 2-undecylnaphthalen-1-ol is CCCCCCCCCCCc1ccc2ccccc2c1O.
What is the InChIKey of 2-undecylnaphthalen-1-ol?
The InChIKey is USPZSBVUDXIQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30O/c1-2-3-4-5-6-7-8-9-10-14-19-17-16-18-13-11-12-15-20(18)21(19)22/h11-13,15-17,22H,2-10,14H2,1H3.
What are the key properties of 2-undecylnaphthalen-1-ol?
2-undecylnaphthalen-1-ol has a molecular weight of 298.47 g/mol, XLogP of 6.62, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-undecylnaphthalen-1-ol is sourced from PubChem (CID 139729579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).