6-chloro-2-cyclopentyl-3,4-dihydro-2H-chromen-4-ol

C14H17ClO2 — CID 114714546

IUPAC6-chloro-2-cyclopentyl-3,4-dihydro-2H-chromen-4-ol
SMILESOC1CC(C2CCCC2)Oc2ccc(Cl)cc21
InChIInChI=1S/C14H17ClO2/c15-10-5-6-13-11(7-10)12(16)8-14(17-13)9-3-1-2-4-9/h5-7,9,12,14,16H,1-4,8H2
InChIKeyIHGZUVVRVMQRFD-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.71
Rot. Bonds1

About 6-chloro-2-cyclopentyl-3,4-dihydro-2H-chromen-4-ol

6-chloro-2-cyclopentyl-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114714546) has the molecular formula C14H17ClO2 and a molecular weight of 252.74 g/mol. Its IUPAC name is 6-chloro-2-cyclopentyl-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name6-chloro-2-cyclopentyl-3,4-dihydro-2H-chromen-4-ol
PubChem CID114714546
Molecular FormulaC14H17ClO2
Molecular Weight252.74 g/mol
Exact Mass252.09
IUPAC Name6-chloro-2-cyclopentyl-3,4-dihydro-2H-chromen-4-ol
SMILESOC1CC(C2CCCC2)Oc2ccc(Cl)cc21
InChIInChI=1S/C14H17ClO2/c15-10-5-6-13-11(7-10)12(16)8-14(17-13)9-3-1-2-4-9/h5-7,9,12,14,16H,1-4,8H2
InChIKeyIHGZUVVRVMQRFD-UHFFFAOYSA-N
XLogP3.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopentyl-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 6-chloro-2-cyclopentyl-3,4-dihydro-2H-chromen-4-ol (CID 114714546) is 6-chloro-2-cyclopentyl-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 6-chloro-2-cyclopentyl-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 6-chloro-2-cyclopentyl-3,4-dihydro-2H-chromen-4-ol is OC1CC(C2CCCC2)Oc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2-cyclopentyl-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is IHGZUVVRVMQRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO2/c15-10-5-6-13-11(7-10)12(16)8-14(17-13)9-3-1-2-4-9/h5-7,9,12,14,16H,1-4,8H2.
What are the key properties of 6-chloro-2-cyclopentyl-3,4-dihydro-2H-chromen-4-ol?
6-chloro-2-cyclopentyl-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 252.74 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopentyl-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114714546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).