1-[4-[(2,3-dichlorophenyl)methoxy]phenyl]propan-1-ol

C16H16Cl2O2 — CID 107306798

IUPAC1-[4-[(2,3-dichlorophenyl)methoxy]phenyl]propan-1-ol
SMILESCCC(O)c1ccc(OCc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C16H16Cl2O2/c1-2-15(19)11-6-8-13(9-7-11)20-10-12-4-3-5-14(17)16(12)18/h3-9,15,19H,2,10H2,1H3
InChIKeyIIKKTWPXNVPCAY-UHFFFAOYSA-N
MW311.21 g/mol
LogP5.02
Rot. Bonds5

About 1-[4-[(2,3-dichlorophenyl)methoxy]phenyl]propan-1-ol

1-[4-[(2,3-dichlorophenyl)methoxy]phenyl]propan-1-ol (PubChem CID 107306798) has the molecular formula C16H16Cl2O2 and a molecular weight of 311.21 g/mol. Its IUPAC name is 1-[4-[(2,3-dichlorophenyl)methoxy]phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[4-[(2,3-dichlorophenyl)methoxy]phenyl]propan-1-ol
PubChem CID107306798
Molecular FormulaC16H16Cl2O2
Molecular Weight311.21 g/mol
Exact Mass310.05
IUPAC Name1-[4-[(2,3-dichlorophenyl)methoxy]phenyl]propan-1-ol
SMILESCCC(O)c1ccc(OCc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C16H16Cl2O2/c1-2-15(19)11-6-8-13(9-7-11)20-10-12-4-3-5-14(17)16(12)18/h3-9,15,19H,2,10H2,1H3
InChIKeyIIKKTWPXNVPCAY-UHFFFAOYSA-N
XLogP5.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.21
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-[(2,3-dichlorophenyl)methoxy]phenyl]propan-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

(1S)-1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-ol
CID 63532785
1-[4-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylethanamine
CID 107305773
(1R)-1-[4-[(2-chloro-4-methylphenyl)methoxy]phenyl]propan-1-ol
CID 106864374
(1S)-1-[2-[(2,3-dichlorophenyl)methoxy]phenyl]propan-1-ol
CID 107306815
(1R)-1-[3-[(2,3-dichlorophenyl)methoxy]phenyl]ethanol
CID 107094586
ethyl 4-[(2,3-dichlorophenyl)methoxy]benzoate
CID 107305560
(1R)-1-[4-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]propan-1-ol
CID 63365402
1-[4-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 107305705
3-[[4-[(1R)-1-hydroxypropyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 63365521
N-[[4-[(2,3-dichlorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 107305709
1-[4-(1-benzothiophen-3-ylmethoxy)phenyl]propan-1-ol
CID 63738620
(1S)-1-[4-(2-phenoxyethoxy)phenyl]propan-1-ol
CID 78932191

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,3-dichlorophenyl)methoxy]phenyl]propan-1-ol?
The IUPAC name of 1-[4-[(2,3-dichlorophenyl)methoxy]phenyl]propan-1-ol (CID 107306798) is 1-[4-[(2,3-dichlorophenyl)methoxy]phenyl]propan-1-ol.
What is the SMILES notation for 1-[4-[(2,3-dichlorophenyl)methoxy]phenyl]propan-1-ol?
The canonical SMILES for 1-[4-[(2,3-dichlorophenyl)methoxy]phenyl]propan-1-ol is CCC(O)c1ccc(OCc2cccc(Cl)c2Cl)cc1.
What is the InChIKey of 1-[4-[(2,3-dichlorophenyl)methoxy]phenyl]propan-1-ol?
The InChIKey is IIKKTWPXNVPCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2O2/c1-2-15(19)11-6-8-13(9-7-11)20-10-12-4-3-5-14(17)16(12)18/h3-9,15,19H,2,10H2,1H3.
What are the key properties of 1-[4-[(2,3-dichlorophenyl)methoxy]phenyl]propan-1-ol?
1-[4-[(2,3-dichlorophenyl)methoxy]phenyl]propan-1-ol has a molecular weight of 311.21 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,3-dichlorophenyl)methoxy]phenyl]propan-1-ol is sourced from PubChem (CID 107306798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).