2-chloro-4-(3,4-dihydro-2H-chromen-8-yl)phenol

C15H13ClO2 — CID 114747683

IUPAC2-chloro-4-(3,4-dihydro-2H-chromen-8-yl)phenol
SMILESOc1ccc(-c2cccc3c2OCCC3)cc1Cl
InChIInChI=1S/C15H13ClO2/c16-13-9-11(6-7-14(13)17)12-5-1-3-10-4-2-8-18-15(10)12/h1,3,5-7,9,17H,2,4,8H2
InChIKeyRNPPUASCUPHIIB-UHFFFAOYSA-N
MW260.72 g/mol
LogP4.04
Rot. Bonds1

About 2-chloro-4-(3,4-dihydro-2H-chromen-8-yl)phenol

2-chloro-4-(3,4-dihydro-2H-chromen-8-yl)phenol (PubChem CID 114747683) has the molecular formula C15H13ClO2 and a molecular weight of 260.72 g/mol. Its IUPAC name is 2-chloro-4-(3,4-dihydro-2H-chromen-8-yl)phenol.

Molecular Properties

Compound Name2-chloro-4-(3,4-dihydro-2H-chromen-8-yl)phenol
PubChem CID114747683
Molecular FormulaC15H13ClO2
Molecular Weight260.72 g/mol
Exact Mass260.06
IUPAC Name2-chloro-4-(3,4-dihydro-2H-chromen-8-yl)phenol
SMILESOc1ccc(-c2cccc3c2OCCC3)cc1Cl
InChIInChI=1S/C15H13ClO2/c16-13-9-11(6-7-14(13)17)12-5-1-3-10-4-2-8-18-15(10)12/h1,3,5-7,9,17H,2,4,8H2
InChIKeyRNPPUASCUPHIIB-UHFFFAOYSA-N
XLogP4.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3,4-dihydro-2H-chromen-8-yl)phenol?
The IUPAC name of 2-chloro-4-(3,4-dihydro-2H-chromen-8-yl)phenol (CID 114747683) is 2-chloro-4-(3,4-dihydro-2H-chromen-8-yl)phenol.
What is the SMILES notation for 2-chloro-4-(3,4-dihydro-2H-chromen-8-yl)phenol?
The canonical SMILES for 2-chloro-4-(3,4-dihydro-2H-chromen-8-yl)phenol is Oc1ccc(-c2cccc3c2OCCC3)cc1Cl.
What is the InChIKey of 2-chloro-4-(3,4-dihydro-2H-chromen-8-yl)phenol?
The InChIKey is RNPPUASCUPHIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2/c16-13-9-11(6-7-14(13)17)12-5-1-3-10-4-2-8-18-15(10)12/h1,3,5-7,9,17H,2,4,8H2.
What are the key properties of 2-chloro-4-(3,4-dihydro-2H-chromen-8-yl)phenol?
2-chloro-4-(3,4-dihydro-2H-chromen-8-yl)phenol has a molecular weight of 260.72 g/mol, XLogP of 4.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3,4-dihydro-2H-chromen-8-yl)phenol is sourced from PubChem (CID 114747683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).