5-pentoxynaphthalen-2-ol

C15H18O2 — CID 22144275

IUPAC5-pentoxynaphthalen-2-ol
SMILESCCCCCOc1cccc2cc(O)ccc12
InChIInChI=1S/C15H18O2/c1-2-3-4-10-17-15-7-5-6-12-11-13(16)8-9-14(12)15/h5-9,11,16H,2-4,10H2,1H3
InChIKeyMQDYBAJEBKBAFC-UHFFFAOYSA-N
MW230.31 g/mol
LogP4.11
Rot. Bonds5

About 5-pentoxynaphthalen-2-ol

5-pentoxynaphthalen-2-ol (PubChem CID 22144275) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-pentoxynaphthalen-2-ol.

Molecular Properties

Compound Name5-pentoxynaphthalen-2-ol
PubChem CID22144275
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name5-pentoxynaphthalen-2-ol
SMILESCCCCCOc1cccc2cc(O)ccc12
InChIInChI=1S/C15H18O2/c1-2-3-4-10-17-15-7-5-6-12-11-13(16)8-9-14(12)15/h5-9,11,16H,2-4,10H2,1H3
InChIKeyMQDYBAJEBKBAFC-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
1-nonoxyanthracene
CID 86193569
5-heptoxynaphthalene-2-carbaldehyde
CID 90037600
2,3-dipentoxyphenol
CID 57426098
1-butoxynaphthalene
CID 13262700
5-pentoxynaphthalen-1-ol
CID 67823980
1-decoxyphenanthrene
CID 140993229
5-phenylmethoxynaphthalen-2-ol
CID 71348952
3-methylbuta-1,2-diene;1-pentoxynaphthalene
CID 174706158
1,2,3-tridodecoxybenzene
CID 11308140
1,2,3-trihexadecoxybenzene
CID 15518170
1,6-diethoxynaphthalene;naphthalene-1,6-diol
CID 162064301

Frequently Asked Questions

What is the IUPAC name of 5-pentoxynaphthalen-2-ol?
The IUPAC name of 5-pentoxynaphthalen-2-ol (CID 22144275) is 5-pentoxynaphthalen-2-ol.
What is the SMILES notation for 5-pentoxynaphthalen-2-ol?
The canonical SMILES for 5-pentoxynaphthalen-2-ol is CCCCCOc1cccc2cc(O)ccc12.
What is the InChIKey of 5-pentoxynaphthalen-2-ol?
The InChIKey is MQDYBAJEBKBAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-2-3-4-10-17-15-7-5-6-12-11-13(16)8-9-14(12)15/h5-9,11,16H,2-4,10H2,1H3.
What are the key properties of 5-pentoxynaphthalen-2-ol?
5-pentoxynaphthalen-2-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-2-ol is sourced from PubChem (CID 22144275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).