1-[2-(5-chloro-2-methylphenoxy)phenyl]propan-1-ol

C16H17ClO2 — CID 112679140

IUPAC1-[2-(5-chloro-2-methylphenoxy)phenyl]propan-1-ol
SMILESCCC(O)c1ccccc1Oc1cc(Cl)ccc1C
InChIInChI=1S/C16H17ClO2/c1-3-14(18)13-6-4-5-7-15(13)19-16-10-12(17)9-8-11(16)2/h4-10,14,18H,3H2,1-2H3
InChIKeyIOBCDWDDJUCUDF-UHFFFAOYSA-N
MW276.76 g/mol
LogP4.88
Rot. Bonds4

About 1-[2-(5-chloro-2-methylphenoxy)phenyl]propan-1-ol

1-[2-(5-chloro-2-methylphenoxy)phenyl]propan-1-ol (PubChem CID 112679140) has the molecular formula C16H17ClO2 and a molecular weight of 276.76 g/mol. Its IUPAC name is 1-[2-(5-chloro-2-methylphenoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[2-(5-chloro-2-methylphenoxy)phenyl]propan-1-ol
PubChem CID112679140
Molecular FormulaC16H17ClO2
Molecular Weight276.76 g/mol
Exact Mass276.09
IUPAC Name1-[2-(5-chloro-2-methylphenoxy)phenyl]propan-1-ol
SMILESCCC(O)c1ccccc1Oc1cc(Cl)ccc1C
InChIInChI=1S/C16H17ClO2/c1-3-14(18)13-6-4-5-7-15(13)19-16-10-12(17)9-8-11(16)2/h4-10,14,18H,3H2,1-2H3
InChIKeyIOBCDWDDJUCUDF-UHFFFAOYSA-N
XLogP4.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-(2-bromo-4-chlorophenoxy)phenyl]propan-1-ol
CID 103960517
1-[2-(5-chloro-2-methylphenoxy)phenyl]-N-ethylpropan-1-amine
CID 115995719
(1R)-1-[2-(2-methyl-5-nitrophenoxy)phenyl]propan-1-ol
CID 103960584
(1S)-1-[2-(2-methyl-5-nitrophenoxy)phenyl]propan-1-ol
CID 103960585
(1R)-1-[2-(4-chloro-3-methylphenoxy)phenyl]propan-1-ol
CID 103960425
(1R)-1-[2-(2,3,5-trimethylphenoxy)phenyl]propan-1-ol
CID 103960528
(1R)-1-[2-(2,3-dichlorophenoxy)phenyl]propan-1-ol
CID 103960427
(1R)-1-[2-(2-methoxyphenoxy)phenyl]propan-1-ol
CID 103960501
1-(4-chloro-2-methoxyphenyl)propan-1-ol
CID 115787726
1-[2-(4-bromo-2-chlorophenoxy)phenyl]propan-1-ol
CID 112679109
(1R)-1-[2-(3-chloro-2-fluorophenoxy)phenyl]propan-1-ol
CID 104892698
(1R)-1-[2-(2-bromophenoxy)phenyl]propan-1-ol
CID 113359072

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-2-methylphenoxy)phenyl]propan-1-ol?
The IUPAC name of 1-[2-(5-chloro-2-methylphenoxy)phenyl]propan-1-ol (CID 112679140) is 1-[2-(5-chloro-2-methylphenoxy)phenyl]propan-1-ol.
What is the SMILES notation for 1-[2-(5-chloro-2-methylphenoxy)phenyl]propan-1-ol?
The canonical SMILES for 1-[2-(5-chloro-2-methylphenoxy)phenyl]propan-1-ol is CCC(O)c1ccccc1Oc1cc(Cl)ccc1C.
What is the InChIKey of 1-[2-(5-chloro-2-methylphenoxy)phenyl]propan-1-ol?
The InChIKey is IOBCDWDDJUCUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO2/c1-3-14(18)13-6-4-5-7-15(13)19-16-10-12(17)9-8-11(16)2/h4-10,14,18H,3H2,1-2H3.
What are the key properties of 1-[2-(5-chloro-2-methylphenoxy)phenyl]propan-1-ol?
1-[2-(5-chloro-2-methylphenoxy)phenyl]propan-1-ol has a molecular weight of 276.76 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloro-2-methylphenoxy)phenyl]propan-1-ol is sourced from PubChem (CID 112679140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).