2-chloro-4-[2-(oxan-2-yloxy)ethyl]phenol

C13H17ClO3 — CID 69449644

IUPAC2-chloro-4-[2-(oxan-2-yloxy)ethyl]phenol
SMILESOc1ccc(CCOC2CCCCO2)cc1Cl
InChIInChI=1S/C13H17ClO3/c14-11-9-10(4-5-12(11)15)6-8-17-13-3-1-2-7-16-13/h4-5,9,13,15H,1-3,6-8H2
InChIKeyBJEPGZCQQPODEE-UHFFFAOYSA-N
MW256.73 g/mol
LogP3.13
Rot. Bonds4

About 2-chloro-4-[2-(oxan-2-yloxy)ethyl]phenol

2-chloro-4-[2-(oxan-2-yloxy)ethyl]phenol (PubChem CID 69449644) has the molecular formula C13H17ClO3 and a molecular weight of 256.73 g/mol. Its IUPAC name is 2-chloro-4-[2-(oxan-2-yloxy)ethyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[2-(oxan-2-yloxy)ethyl]phenol
PubChem CID69449644
Molecular FormulaC13H17ClO3
Molecular Weight256.73 g/mol
Exact Mass256.09
IUPAC Name2-chloro-4-[2-(oxan-2-yloxy)ethyl]phenol
SMILESOc1ccc(CCOC2CCCCO2)cc1Cl
InChIInChI=1S/C13H17ClO3/c14-11-9-10(4-5-12(11)15)6-8-17-13-3-1-2-7-16-13/h4-5,9,13,15H,1-3,6-8H2
InChIKeyBJEPGZCQQPODEE-UHFFFAOYSA-N
XLogP3.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[2-[(2S)-oxan-2-yl]oxyethyl]phenyl]methanol
CID 129389896
4-[2-[(2S)-oxan-2-yl]oxyethyl]benzaldehyde
CID 86333516
4-hydroxy-1-[4-[2-(oxan-2-yloxy)ethyl]phenyl]pyridin-2-one
CID 66873100
2-[2-(2-bromo-5-chlorophenyl)ethoxy]oxane
CID 170630411
2-[4-[(3,4-dichlorophenyl)methylsulfanyl]butoxy]oxane
CID 2794924
2-[2-[3-(4-phenylbutoxymethyl)phenyl]ethoxy]oxane
CID 69438064
[1-[[4-[2-(oxan-2-yloxy)ethyl]phenyl]methyl]cyclopentyl]methanamine
CID 18999475
4-(oxan-2-yloxymethyl)-2-(trideuteriomethoxy)phenol
CID 101144934
2-[2-(4-bromo-2-chloro-5-methoxyphenyl)ethoxy]oxane
CID 162682281
3-(3-chloro-4-hydroxyphenyl)-1-cyclopentylpropan-1-one
CID 58762696
2-[3-[4-(trifluoromethyl)phenyl]propoxy]oxane
CID 118808170
2-[2-(4-bromophenyl)ethoxy]oxane;[4-[2-(oxan-2-yloxy)ethyl]phenyl]-di(propan-2-yl)silane
CID 159295209

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-(oxan-2-yloxy)ethyl]phenol?
The IUPAC name of 2-chloro-4-[2-(oxan-2-yloxy)ethyl]phenol (CID 69449644) is 2-chloro-4-[2-(oxan-2-yloxy)ethyl]phenol.
What is the SMILES notation for 2-chloro-4-[2-(oxan-2-yloxy)ethyl]phenol?
The canonical SMILES for 2-chloro-4-[2-(oxan-2-yloxy)ethyl]phenol is Oc1ccc(CCOC2CCCCO2)cc1Cl.
What is the InChIKey of 2-chloro-4-[2-(oxan-2-yloxy)ethyl]phenol?
The InChIKey is BJEPGZCQQPODEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO3/c14-11-9-10(4-5-12(11)15)6-8-17-13-3-1-2-7-16-13/h4-5,9,13,15H,1-3,6-8H2.
What are the key properties of 2-chloro-4-[2-(oxan-2-yloxy)ethyl]phenol?
2-chloro-4-[2-(oxan-2-yloxy)ethyl]phenol has a molecular weight of 256.73 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-(oxan-2-yloxy)ethyl]phenol is sourced from PubChem (CID 69449644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).