3-chloro-4-(oxolan-3-yl)phenol

C10H11ClO2 — CID 84668553

IUPAC3-chloro-4-(oxolan-3-yl)phenol
SMILESOc1ccc(C2CCOC2)c(Cl)c1
InChIInChI=1S/C10H11ClO2/c11-10-5-8(12)1-2-9(10)7-3-4-13-6-7/h1-2,5,7,12H,3-4,6H2
InChIKeyVDTCYPHQPSTDKW-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.55
Rot. Bonds1

About 3-chloro-4-(oxolan-3-yl)phenol

3-chloro-4-(oxolan-3-yl)phenol (PubChem CID 84668553) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is 3-chloro-4-(oxolan-3-yl)phenol.

Molecular Properties

Compound Name3-chloro-4-(oxolan-3-yl)phenol
PubChem CID84668553
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Name3-chloro-4-(oxolan-3-yl)phenol
SMILESOc1ccc(C2CCOC2)c(Cl)c1
InChIInChI=1S/C10H11ClO2/c11-10-5-8(12)1-2-9(10)7-3-4-13-6-7/h1-2,5,7,12H,3-4,6H2
InChIKeyVDTCYPHQPSTDKW-UHFFFAOYSA-N
XLogP2.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(oxolan-3-yl)phenol?
The IUPAC name of 3-chloro-4-(oxolan-3-yl)phenol (CID 84668553) is 3-chloro-4-(oxolan-3-yl)phenol.
What is the SMILES notation for 3-chloro-4-(oxolan-3-yl)phenol?
The canonical SMILES for 3-chloro-4-(oxolan-3-yl)phenol is Oc1ccc(C2CCOC2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(oxolan-3-yl)phenol?
The InChIKey is VDTCYPHQPSTDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2/c11-10-5-8(12)1-2-9(10)7-3-4-13-6-7/h1-2,5,7,12H,3-4,6H2.
What are the key properties of 3-chloro-4-(oxolan-3-yl)phenol?
3-chloro-4-(oxolan-3-yl)phenol has a molecular weight of 198.65 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(oxolan-3-yl)phenol is sourced from PubChem (CID 84668553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).