5-pentoxynaphthalen-1-ol

C15H18O2 — CID 67823980

IUPAC5-pentoxynaphthalen-1-ol
SMILESCCCCCOc1cccc2c(O)cccc12
InChIInChI=1S/C15H18O2/c1-2-3-4-11-17-15-10-6-7-12-13(15)8-5-9-14(12)16/h5-10,16H,2-4,11H2,1H3
InChIKeySXUHTBJIQWEPJG-UHFFFAOYSA-N
MW230.31 g/mol
LogP4.11
Rot. Bonds5

About 5-pentoxynaphthalen-1-ol

5-pentoxynaphthalen-1-ol (PubChem CID 67823980) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-pentoxynaphthalen-1-ol.

Molecular Properties

Compound Name5-pentoxynaphthalen-1-ol
PubChem CID67823980
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name5-pentoxynaphthalen-1-ol
SMILESCCCCCOc1cccc2c(O)cccc12
InChIInChI=1S/C15H18O2/c1-2-3-4-11-17-15-10-6-7-12-13(15)8-5-9-14(12)16/h5-10,16H,2-4,11H2,1H3
InChIKeySXUHTBJIQWEPJG-UHFFFAOYSA-N
XLogP4.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 54.11
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

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1,2,3-tridodecoxybenzene
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1,4-didodecoxynaphthalene
CID 21304164
1,2,3-trihexadecoxybenzene
CID 15518170
(2-hexoxy-6-hydroxyphenyl) propanoate
CID 91538458
2,6-di(nonoxy)phenol
CID 22024876
2-tridecoxyphenol
CID 67178320
2,6-diheptoxyphenol
CID 57426104
2,3,4-tridodecoxyphenol
CID 67180426
1-decoxyphenanthrene
CID 140993229
1,2-diethoxy-3-pentoxybenzene
CID 174527240

Frequently Asked Questions

What is the IUPAC name of 5-pentoxynaphthalen-1-ol?
The IUPAC name of 5-pentoxynaphthalen-1-ol (CID 67823980) is 5-pentoxynaphthalen-1-ol.
What is the SMILES notation for 5-pentoxynaphthalen-1-ol?
The canonical SMILES for 5-pentoxynaphthalen-1-ol is CCCCCOc1cccc2c(O)cccc12.
What is the InChIKey of 5-pentoxynaphthalen-1-ol?
The InChIKey is SXUHTBJIQWEPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-2-3-4-11-17-15-10-6-7-12-13(15)8-5-9-14(12)16/h5-10,16H,2-4,11H2,1H3.
What are the key properties of 5-pentoxynaphthalen-1-ol?
5-pentoxynaphthalen-1-ol has a molecular weight of 230.31 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentoxynaphthalen-1-ol is sourced from PubChem (CID 67823980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).