3,4-dihexoxynaphthalen-1-ol

C22H32O3 — CID 19873008

IUPAC3,4-dihexoxynaphthalen-1-ol
SMILESCCCCCCOc1cc(O)c2ccccc2c1OCCCCCC
InChIInChI=1S/C22H32O3/c1-3-5-7-11-15-24-21-17-20(23)18-13-9-10-14-19(18)22(21)25-16-12-8-6-4-2/h9-10,13-14,17,23H,3-8,11-12,15-16H2,1-2H3
InChIKeyISCTURHRCKZEMY-UHFFFAOYSA-N
MW344.50 g/mol
LogP6.46
Rot. Bonds12

About 3,4-dihexoxynaphthalen-1-ol

3,4-dihexoxynaphthalen-1-ol (PubChem CID 19873008) has the molecular formula C22H32O3 and a molecular weight of 344.50 g/mol. Its IUPAC name is 3,4-dihexoxynaphthalen-1-ol.

Molecular Properties

Compound Name3,4-dihexoxynaphthalen-1-ol
PubChem CID19873008
Molecular FormulaC22H32O3
Molecular Weight344.50 g/mol
Exact Mass344.24
IUPAC Name3,4-dihexoxynaphthalen-1-ol
SMILESCCCCCCOc1cc(O)c2ccccc2c1OCCCCCC
InChIInChI=1S/C22H32O3/c1-3-5-7-11-15-24-21-17-20(23)18-13-9-10-14-19(18)22(21)25-16-12-8-6-4-2/h9-10,13-14,17,23H,3-8,11-12,15-16H2,1-2H3
InChIKeyISCTURHRCKZEMY-UHFFFAOYSA-N
XLogP6.46
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,4-dihexoxynaphthalen-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9,10-dioctoxyanthracene
CID 21304201
2-tridecoxyphenol
CID 67178320
5-pentoxynaphthalen-1-ol
CID 67823980
2,3,4-tridodecoxyphenol
CID 67180426
benzene-1,2-diol;2-hexoxyphenol
CID 70150520
1,4-didodecoxynaphthalene
CID 21304164
9,10-dibutoxyanthracene;9,10-dipentoxyanthracene
CID 159695719
cobalt;bis(2-decoxyphenol);dihydrate
CID 70521593
2,3-dipentoxyphenol
CID 57426098
2,3-dimethyl-1,4-di(nonoxy)naphthalene
CID 153323309
1,4-diheptoxy-2,3-dimethylnaphthalene
CID 153323338
2-[(3,4,5-tridodecoxyphenyl)iminomethyl]phenol
CID 136820001

Frequently Asked Questions

What is the IUPAC name of 3,4-dihexoxynaphthalen-1-ol?
The IUPAC name of 3,4-dihexoxynaphthalen-1-ol (CID 19873008) is 3,4-dihexoxynaphthalen-1-ol.
What is the SMILES notation for 3,4-dihexoxynaphthalen-1-ol?
The canonical SMILES for 3,4-dihexoxynaphthalen-1-ol is CCCCCCOc1cc(O)c2ccccc2c1OCCCCCC.
What is the InChIKey of 3,4-dihexoxynaphthalen-1-ol?
The InChIKey is ISCTURHRCKZEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O3/c1-3-5-7-11-15-24-21-17-20(23)18-13-9-10-14-19(18)22(21)25-16-12-8-6-4-2/h9-10,13-14,17,23H,3-8,11-12,15-16H2,1-2H3.
What are the key properties of 3,4-dihexoxynaphthalen-1-ol?
3,4-dihexoxynaphthalen-1-ol has a molecular weight of 344.50 g/mol, XLogP of 6.46, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihexoxynaphthalen-1-ol is sourced from PubChem (CID 19873008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).