1-(4-chloro-2,5-diethoxyphenyl)propan-1-ol

C13H19ClO3 — CID 82268035

IUPAC1-(4-chloro-2,5-diethoxyphenyl)propan-1-ol
SMILESCCOc1cc(C(O)CC)c(OCC)cc1Cl
InChIInChI=1S/C13H19ClO3/c1-4-11(15)9-7-13(17-6-3)10(14)8-12(9)16-5-2/h7-8,11,15H,4-6H2,1-3H3
InChIKeyHGBFPMIYXXUZTH-UHFFFAOYSA-N
MW258.74 g/mol
LogP3.58
Rot. Bonds6

About 1-(4-chloro-2,5-diethoxyphenyl)propan-1-ol

1-(4-chloro-2,5-diethoxyphenyl)propan-1-ol (PubChem CID 82268035) has the molecular formula C13H19ClO3 and a molecular weight of 258.74 g/mol. Its IUPAC name is 1-(4-chloro-2,5-diethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-2,5-diethoxyphenyl)propan-1-ol
PubChem CID82268035
Molecular FormulaC13H19ClO3
Molecular Weight258.74 g/mol
Exact Mass258.10
IUPAC Name1-(4-chloro-2,5-diethoxyphenyl)propan-1-ol
SMILESCCOc1cc(C(O)CC)c(OCC)cc1Cl
InChIInChI=1S/C13H19ClO3/c1-4-11(15)9-7-13(17-6-3)10(14)8-12(9)16-5-2/h7-8,11,15H,4-6H2,1-3H3
InChIKeyHGBFPMIYXXUZTH-UHFFFAOYSA-N
XLogP3.58
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.74
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-2,5-dimethoxyphenyl)propan-1-ol
CID 82268059
1-(3-chloro-4-ethoxyphenyl)propan-1-ol
CID 82629836
1-(3-chloro-5-ethoxy-4-propan-2-yloxyphenyl)propan-1-ol
CID 83952654
(2-chloro-4,5-diethoxyphenyl)-cyclopropylmethanol
CID 61083158
1,4-dichloro-2-ethoxy-5-methylbenzene
CID 18335146
4-(5-chloro-2,4-diethoxyphenyl)pentane-1,2-diol
CID 83943493
1-(1-bromo-2,2-difluoroethyl)-2,5-dichloro-4-ethoxybenzene
CID 103514645
1-chloro-4,5-diethoxy-2-hex-5-en-3-ylbenzene
CID 83943763
1-(2,4-dichloro-5-ethoxyphenyl)ethanone
CID 171007863
1-[2-ethoxy-5-(trifluoromethyl)phenyl]propan-1-ol
CID 82262869
5-chloro-4-ethoxy-2-methylphenol
CID 82490779
(1S)-1-(3,4-diethoxyphenyl)propan-1-ol
CID 82758130

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-diethoxyphenyl)propan-1-ol?
The IUPAC name of 1-(4-chloro-2,5-diethoxyphenyl)propan-1-ol (CID 82268035) is 1-(4-chloro-2,5-diethoxyphenyl)propan-1-ol.
What is the SMILES notation for 1-(4-chloro-2,5-diethoxyphenyl)propan-1-ol?
The canonical SMILES for 1-(4-chloro-2,5-diethoxyphenyl)propan-1-ol is CCOc1cc(C(O)CC)c(OCC)cc1Cl.
What is the InChIKey of 1-(4-chloro-2,5-diethoxyphenyl)propan-1-ol?
The InChIKey is HGBFPMIYXXUZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO3/c1-4-11(15)9-7-13(17-6-3)10(14)8-12(9)16-5-2/h7-8,11,15H,4-6H2,1-3H3.
What are the key properties of 1-(4-chloro-2,5-diethoxyphenyl)propan-1-ol?
1-(4-chloro-2,5-diethoxyphenyl)propan-1-ol has a molecular weight of 258.74 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,5-diethoxyphenyl)propan-1-ol is sourced from PubChem (CID 82268035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).