2-(3-hydroxypropyl)naphthalene-1,4-diol

C13H14O3 — CID 91441568

IUPAC2-(3-hydroxypropyl)naphthalene-1,4-diol
SMILESOCCCc1cc(O)c2ccccc2c1O
InChIInChI=1S/C13H14O3/c14-7-3-4-9-8-12(15)10-5-1-2-6-11(10)13(9)16/h1-2,5-6,8,14-16H,3-4,7H2
InChIKeyVCCQEONJHOOLDR-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.18
Rot. Bonds3

About 2-(3-hydroxypropyl)naphthalene-1,4-diol

2-(3-hydroxypropyl)naphthalene-1,4-diol (PubChem CID 91441568) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)naphthalene-1,4-diol.

Molecular Properties

Compound Name2-(3-hydroxypropyl)naphthalene-1,4-diol
PubChem CID91441568
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name2-(3-hydroxypropyl)naphthalene-1,4-diol
SMILESOCCCc1cc(O)c2ccccc2c1O
InChIInChI=1S/C13H14O3/c14-7-3-4-9-8-12(15)10-5-1-2-6-11(10)13(9)16/h1-2,5-6,8,14-16H,3-4,7H2
InChIKeyVCCQEONJHOOLDR-UHFFFAOYSA-N
XLogP2.18
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethylnaphthalene-1,4-diol
CID 13077288
3-naphthalen-1-ylpropan-1-ol
CID 14711518
2-(2-iminoethyl)naphthalene-1,4-diol
CID 91312623
2-(3-hydroxypropyl)benzene-1,4-diol
CID 19362191
3-quinolin-4-ylpropan-1-ol
CID 21218471
2-(3-hydroxypropyl)-4-methyl-6-phenoxyphenol
CID 151831322
3-[3-[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]propyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 101021854
2-[4-(3-hydroxypropyl)naphthalen-1-yl]acetaldehyde
CID 153490793
2-hydroxyethyl 1,4-dihydroxynaphthalene-2-carboxylate
CID 156840191
2-[(2E)-3,7-dimethylocta-2,6-dienyl]naphthalene-1,4-diol
CID 56928124
2-ethyl-4-propylnaphthalen-1-ol
CID 19868304
2-ethyl-3-(3-hydroxypropyl)phenol
CID 123721152

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)naphthalene-1,4-diol?
The IUPAC name of 2-(3-hydroxypropyl)naphthalene-1,4-diol (CID 91441568) is 2-(3-hydroxypropyl)naphthalene-1,4-diol.
What is the SMILES notation for 2-(3-hydroxypropyl)naphthalene-1,4-diol?
The canonical SMILES for 2-(3-hydroxypropyl)naphthalene-1,4-diol is OCCCc1cc(O)c2ccccc2c1O.
What is the InChIKey of 2-(3-hydroxypropyl)naphthalene-1,4-diol?
The InChIKey is VCCQEONJHOOLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c14-7-3-4-9-8-12(15)10-5-1-2-6-11(10)13(9)16/h1-2,5-6,8,14-16H,3-4,7H2.
What are the key properties of 2-(3-hydroxypropyl)naphthalene-1,4-diol?
2-(3-hydroxypropyl)naphthalene-1,4-diol has a molecular weight of 218.25 g/mol, XLogP of 2.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)naphthalene-1,4-diol is sourced from PubChem (CID 91441568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).