1-(4-chlorophenyl)-3-naphthalen-2-yloxypropan-1-ol

C19H17ClO2 — CID 54113844

IUPAC1-(4-chlorophenyl)-3-naphthalen-2-yloxypropan-1-ol
SMILESOC(CCOc1ccc2ccccc2c1)c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClO2/c20-17-8-5-15(6-9-17)19(21)11-12-22-18-10-7-14-3-1-2-4-16(14)13-18/h1-10,13,19,21H,11-12H2
InChIKeyNIYLMXWHAVKBNJ-UHFFFAOYSA-N
MW312.80 g/mol
LogP5.00
Rot. Bonds5

About 1-(4-chlorophenyl)-3-naphthalen-2-yloxypropan-1-ol

1-(4-chlorophenyl)-3-naphthalen-2-yloxypropan-1-ol (PubChem CID 54113844) has the molecular formula C19H17ClO2 and a molecular weight of 312.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-naphthalen-2-yloxypropan-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-naphthalen-2-yloxypropan-1-ol
PubChem CID54113844
Molecular FormulaC19H17ClO2
Molecular Weight312.80 g/mol
Exact Mass312.09
IUPAC Name1-(4-chlorophenyl)-3-naphthalen-2-yloxypropan-1-ol
SMILESOC(CCOc1ccc2ccccc2c1)c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClO2/c20-17-8-5-15(6-9-17)19(21)11-12-22-18-10-7-14-3-1-2-4-16(14)13-18/h1-10,13,19,21H,11-12H2
InChIKeyNIYLMXWHAVKBNJ-UHFFFAOYSA-N
XLogP5.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-chlorophenyl)-3-naphthalen-2-yloxypropan-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

(1R)-1-(4-chlorophenyl)-2-isoquinolin-7-yloxyethanol
CID 167764455
3-(2-naphthalen-2-yloxyethyl)pentane-2,4-dione
CID 10707168
N-[(4-chlorophenyl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide
CID 2944649
N-[(S)-(4-chlorophenyl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide
CID 2195570
N-[1-(4-chlorophenyl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 42989419
methyl 2-amino-4-naphthalen-2-yloxybutanoate
CID 63041604
3-amino-1-naphthalen-2-ylpropan-1-ol
CID 65184856
1-(3-chloro-4-ethoxyphenyl)-3-(6-iodonaphthalen-2-yl)oxypropan-1-ol
CID 19096979
3-(3-methoxyphenoxy)-1-phenylpropan-1-ol
CID 116693290
3-(4-chlorophenoxy)-1-thiophen-2-ylpropan-1-ol
CID 154630453
(1R)-3-(3-fluorophenoxy)-1-phenylpropan-1-ol
CID 112742208
1-(4-fluoro-3-methylphenyl)-3-phenoxypropan-1-ol
CID 62608597

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-naphthalen-2-yloxypropan-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-3-naphthalen-2-yloxypropan-1-ol (CID 54113844) is 1-(4-chlorophenyl)-3-naphthalen-2-yloxypropan-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-3-naphthalen-2-yloxypropan-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-3-naphthalen-2-yloxypropan-1-ol is OC(CCOc1ccc2ccccc2c1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-naphthalen-2-yloxypropan-1-ol?
The InChIKey is NIYLMXWHAVKBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClO2/c20-17-8-5-15(6-9-17)19(21)11-12-22-18-10-7-14-3-1-2-4-16(14)13-18/h1-10,13,19,21H,11-12H2.
What are the key properties of 1-(4-chlorophenyl)-3-naphthalen-2-yloxypropan-1-ol?
1-(4-chlorophenyl)-3-naphthalen-2-yloxypropan-1-ol has a molecular weight of 312.80 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-naphthalen-2-yloxypropan-1-ol is sourced from PubChem (CID 54113844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).