2-ethoxy-6-propan-2-ylnaphthalene-1,4-diol

C15H18O3 — CID 19886648

IUPAC2-ethoxy-6-propan-2-ylnaphthalene-1,4-diol
SMILESCCOc1cc(O)c2cc(C(C)C)ccc2c1O
InChIInChI=1S/C15H18O3/c1-4-18-14-8-13(16)12-7-10(9(2)3)5-6-11(12)15(14)17/h5-9,16-17H,4H2,1-3H3
InChIKeyOHFCAAPVICFRLH-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.77
Rot. Bonds3

About 2-ethoxy-6-propan-2-ylnaphthalene-1,4-diol

2-ethoxy-6-propan-2-ylnaphthalene-1,4-diol (PubChem CID 19886648) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-ethoxy-6-propan-2-ylnaphthalene-1,4-diol.

Molecular Properties

Compound Name2-ethoxy-6-propan-2-ylnaphthalene-1,4-diol
PubChem CID19886648
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name2-ethoxy-6-propan-2-ylnaphthalene-1,4-diol
SMILESCCOc1cc(O)c2cc(C(C)C)ccc2c1O
InChIInChI=1S/C15H18O3/c1-4-18-14-8-13(16)12-7-10(9(2)3)5-6-11(12)15(14)17/h5-9,16-17H,4H2,1-3H3
InChIKeyOHFCAAPVICFRLH-UHFFFAOYSA-N
XLogP3.77
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-6,7-dimethylnaphthalene-1,4-diol
CID 19886853
4,5-diethoxy-3-propan-2-ylbenzene-1,2-diol
CID 87960841
2-ethoxy-1-methoxy-4-propan-2-ylbenzene
CID 22087689
3,4-diethoxy-7-ethylnaphthalen-1-ol
CID 19872804
3-ethoxy-2,6-di(propan-2-yl)naphthalene
CID 176586684
2-ethoxy-6-[(4-propan-2-ylphenyl)iminomethyl]phenol
CID 135657449
3-ethoxy-2-methoxy-8-propan-2-ylbenzo[c]chromen-6-one
CID 130455889
2-chloro-4-ethoxynaphthalen-1-ol
CID 121473034
2-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-1-methyl-4-propan-2-ylbenzene
CID 2283913
2-[bis(2-hydroxy-5-propan-2-ylphenyl)methyl]-4-propan-2-ylphenol
CID 178165672
2,4-di(propan-2-yl)phenol
CID 18048
1-ethoxy-2-phenylsulfanyl-4-propan-2-ylbenzene
CID 15758335

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-propan-2-ylnaphthalene-1,4-diol?
The IUPAC name of 2-ethoxy-6-propan-2-ylnaphthalene-1,4-diol (CID 19886648) is 2-ethoxy-6-propan-2-ylnaphthalene-1,4-diol.
What is the SMILES notation for 2-ethoxy-6-propan-2-ylnaphthalene-1,4-diol?
The canonical SMILES for 2-ethoxy-6-propan-2-ylnaphthalene-1,4-diol is CCOc1cc(O)c2cc(C(C)C)ccc2c1O.
What is the InChIKey of 2-ethoxy-6-propan-2-ylnaphthalene-1,4-diol?
The InChIKey is OHFCAAPVICFRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-4-18-14-8-13(16)12-7-10(9(2)3)5-6-11(12)15(14)17/h5-9,16-17H,4H2,1-3H3.
What are the key properties of 2-ethoxy-6-propan-2-ylnaphthalene-1,4-diol?
2-ethoxy-6-propan-2-ylnaphthalene-1,4-diol has a molecular weight of 246.31 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-propan-2-ylnaphthalene-1,4-diol is sourced from PubChem (CID 19886648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).