naphthalen-1-yl(3-naphthalen-1-ylbutoxy)methanol

C25H24O2 — CID 91010626

IUPACnaphthalen-1-yl(3-naphthalen-1-ylbutoxy)methanol
SMILESCC(CCOC(O)c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C25H24O2/c1-18(21-14-6-10-19-8-2-4-12-22(19)21)16-17-27-25(26)24-15-7-11-20-9-3-5-13-23(20)24/h2-15,18,25-26H,16-17H2,1H3
InChIKeyKCNPQPXNVCLDJQ-UHFFFAOYSA-N
MW356.47 g/mol
LogP6.19
Rot. Bonds6

About naphthalen-1-yl(3-naphthalen-1-ylbutoxy)methanol

naphthalen-1-yl(3-naphthalen-1-ylbutoxy)methanol (PubChem CID 91010626) has the molecular formula C25H24O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is naphthalen-1-yl(3-naphthalen-1-ylbutoxy)methanol.

Molecular Properties

Compound Namenaphthalen-1-yl(3-naphthalen-1-ylbutoxy)methanol
PubChem CID91010626
Molecular FormulaC25H24O2
Molecular Weight356.47 g/mol
Exact Mass356.18
IUPAC Namenaphthalen-1-yl(3-naphthalen-1-ylbutoxy)methanol
SMILESCC(CCOC(O)c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C25H24O2/c1-18(21-14-6-10-19-8-2-4-12-22(19)21)16-17-27-25(26)24-15-7-11-20-9-3-5-13-23(20)24/h2-15,18,25-26H,16-17H2,1H3
InChIKeyKCNPQPXNVCLDJQ-UHFFFAOYSA-N
XLogP6.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze naphthalen-1-yl(3-naphthalen-1-ylbutoxy)methanol 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

1-[1-(2-naphthalen-1-ylpropoxy)propan-2-yl]naphthalene
CID 69118835
5-methoxy-1-naphthalen-1-ylpentan-1-ol
CID 112754213
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
(4S)-4-naphthalen-1-ylpentanal
CID 10774914
3-naphthalen-1-ylpentane-2,4-diol
CID 140608407
naphthalen-1-yl(naphthalen-1-yloxy)methanol
CID 68578221
cerium(3+);2-naphthalen-1-ylpropan-1-amine;trichloride;hydrate
CID 159849461
N-ethyl-3-naphthalen-1-ylbutan-1-amine
CID 81020058
(1S)-1-naphthalen-1-ylpropane-1,3-diol
CID 154706330
3-naphthalen-1-ylbutanoic acid
CID 43211329
2-methyl-1-naphthalen-1-ylbut-3-en-1-ol
CID 85312349
1-(4-bromopentan-2-yl)naphthalene
CID 64720152

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl(3-naphthalen-1-ylbutoxy)methanol?
The IUPAC name of naphthalen-1-yl(3-naphthalen-1-ylbutoxy)methanol (CID 91010626) is naphthalen-1-yl(3-naphthalen-1-ylbutoxy)methanol.
What is the SMILES notation for naphthalen-1-yl(3-naphthalen-1-ylbutoxy)methanol?
The canonical SMILES for naphthalen-1-yl(3-naphthalen-1-ylbutoxy)methanol is CC(CCOC(O)c1cccc2ccccc12)c1cccc2ccccc12.
What is the InChIKey of naphthalen-1-yl(3-naphthalen-1-ylbutoxy)methanol?
The InChIKey is KCNPQPXNVCLDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O2/c1-18(21-14-6-10-19-8-2-4-12-22(19)21)16-17-27-25(26)24-15-7-11-20-9-3-5-13-23(20)24/h2-15,18,25-26H,16-17H2,1H3.
What are the key properties of naphthalen-1-yl(3-naphthalen-1-ylbutoxy)methanol?
naphthalen-1-yl(3-naphthalen-1-ylbutoxy)methanol has a molecular weight of 356.47 g/mol, XLogP of 6.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl(3-naphthalen-1-ylbutoxy)methanol is sourced from PubChem (CID 91010626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).