6-pentoxynaphthalen-1-ol

C15H18O2 — CID 22144289

IUPAC6-pentoxynaphthalen-1-ol
SMILESCCCCCOc1ccc2c(O)cccc2c1
InChIInChI=1S/C15H18O2/c1-2-3-4-10-17-13-8-9-14-12(11-13)6-5-7-15(14)16/h5-9,11,16H,2-4,10H2,1H3
InChIKeyXJAIGAOPTHMMKT-UHFFFAOYSA-N
MW230.31 g/mol
LogP4.11
Rot. Bonds5

About 6-pentoxynaphthalen-1-ol

6-pentoxynaphthalen-1-ol (PubChem CID 22144289) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 6-pentoxynaphthalen-1-ol.

Molecular Properties

Compound Name6-pentoxynaphthalen-1-ol
PubChem CID22144289
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name6-pentoxynaphthalen-1-ol
SMILESCCCCCOc1ccc2c(O)cccc2c1
InChIInChI=1S/C15H18O2/c1-2-3-4-10-17-13-8-9-14-12(11-13)6-5-7-15(14)16/h5-9,11,16H,2-4,10H2,1H3
InChIKeyXJAIGAOPTHMMKT-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

1,6-dipentoxynaphthalene
CID 22144299
2-butoxybenzene-1,3-diol
CID 101011168
4-hexoxybenzene-1,2-diol
CID 23459322
6-pentylnaphthalen-1-ol
CID 69480806
5-pentoxynaphthalen-2-ol
CID 22144275
1,3-dihexadecoxybenzene
CID 12686834
2-(7-pentoxynaphthalen-1-yl)acetic acid
CID 19086042
3-dodecoxyphenol
CID 15719132
5-dodecoxy-2-(4-dodecoxy-6-phenanthren-9-yl-1,3,5-triazin-2-yl)phenol
CID 164768607
1,6-diethoxynaphthalene;naphthalene-1,6-diol
CID 162064301
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(5-butylnaphthalen-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 90397788
6-(2,5-dihexoxyphenyl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 100970086

Frequently Asked Questions

What is the IUPAC name of 6-pentoxynaphthalen-1-ol?
The IUPAC name of 6-pentoxynaphthalen-1-ol (CID 22144289) is 6-pentoxynaphthalen-1-ol.
What is the SMILES notation for 6-pentoxynaphthalen-1-ol?
The canonical SMILES for 6-pentoxynaphthalen-1-ol is CCCCCOc1ccc2c(O)cccc2c1.
What is the InChIKey of 6-pentoxynaphthalen-1-ol?
The InChIKey is XJAIGAOPTHMMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-2-3-4-10-17-13-8-9-14-12(11-13)6-5-7-15(14)16/h5-9,11,16H,2-4,10H2,1H3.
What are the key properties of 6-pentoxynaphthalen-1-ol?
6-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 6-pentoxynaphthalen-1-ol is sourced from PubChem (CID 22144289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).