3-pentylnaphthalene-1,2-diol

C15H18O2 — CID 14529620

IUPAC3-pentylnaphthalene-1,2-diol
SMILESCCCCCc1cc2ccccc2c(O)c1O
InChIInChI=1S/C15H18O2/c1-2-3-4-8-12-10-11-7-5-6-9-13(11)15(17)14(12)16/h5-7,9-10,16-17H,2-4,8H2,1H3
InChIKeyUSTZRBDAIKKMMV-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.98
Rot. Bonds4

About 3-pentylnaphthalene-1,2-diol

3-pentylnaphthalene-1,2-diol (PubChem CID 14529620) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-pentylnaphthalene-1,2-diol.

Molecular Properties

Compound Name3-pentylnaphthalene-1,2-diol
PubChem CID14529620
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name3-pentylnaphthalene-1,2-diol
SMILESCCCCCc1cc2ccccc2c(O)c1O
InChIInChI=1S/C15H18O2/c1-2-3-4-8-12-10-11-7-5-6-9-13(11)15(17)14(12)16/h5-7,9-10,16-17H,2-4,8H2,1H3
InChIKeyUSTZRBDAIKKMMV-UHFFFAOYSA-N
XLogP3.98
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-(4-butoxybutyl)naphthalene-1,2-diol
CID 139729725
3-hexadecyl-2-hydroxynaphthalene-1-carboxylic acid
CID 21475806
2-undecylnaphthalen-1-ol
CID 139729579
1,2,3-trioctylnaphthalene
CID 20513034
1-heptyl-3-methylnaphthalen-2-ol
CID 135074977
3-octylnaphthalene-1,2-disulfonic acid
CID 18944571
2,3-diheptylanthracene
CID 14089075
2,3-dioctadecylpentacene
CID 91251003
1-tetradecylnaphthalene
CID 14402128
2,3-dihexylnaphthalene-1-sulfonic acid;formaldehyde
CID 130237556
2-hexadecylnaphthalen-1-amine
CID 57354886
1,3-dioctylnaphthalene-2-sulfonic acid
CID 101319467

Frequently Asked Questions

What is the IUPAC name of 3-pentylnaphthalene-1,2-diol?
The IUPAC name of 3-pentylnaphthalene-1,2-diol (CID 14529620) is 3-pentylnaphthalene-1,2-diol.
What is the SMILES notation for 3-pentylnaphthalene-1,2-diol?
The canonical SMILES for 3-pentylnaphthalene-1,2-diol is CCCCCc1cc2ccccc2c(O)c1O.
What is the InChIKey of 3-pentylnaphthalene-1,2-diol?
The InChIKey is USTZRBDAIKKMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-2-3-4-8-12-10-11-7-5-6-9-13(11)15(17)14(12)16/h5-7,9-10,16-17H,2-4,8H2,1H3.
What are the key properties of 3-pentylnaphthalene-1,2-diol?
3-pentylnaphthalene-1,2-diol has a molecular weight of 230.31 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentylnaphthalene-1,2-diol is sourced from PubChem (CID 14529620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).