3-(4-chlorophenyl)-3,4-dihydro-2H-chromene

C15H13ClO — CID 500474

IUPAC3-(4-chlorophenyl)-3,4-dihydro-2H-chromene
SMILESClc1ccc(C2COc3ccccc3C2)cc1
InChIInChI=1S/C15H13ClO/c16-14-7-5-11(6-8-14)13-9-12-3-1-2-4-15(12)17-10-13/h1-8,13H,9-10H2
InChIKeyKAQBEAJGACFNDQ-UHFFFAOYSA-N
MW244.72 g/mol
LogP4.06
Rot. Bonds1

About 3-(4-chlorophenyl)-3,4-dihydro-2H-chromene

3-(4-chlorophenyl)-3,4-dihydro-2H-chromene (PubChem CID 500474) has the molecular formula C15H13ClO and a molecular weight of 244.72 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3,4-dihydro-2H-chromene
PubChem CID500474
Molecular FormulaC15H13ClO
Molecular Weight244.72 g/mol
Exact Mass244.07
IUPAC Name3-(4-chlorophenyl)-3,4-dihydro-2H-chromene
SMILESClc1ccc(C2COc3ccccc3C2)cc1
InChIInChI=1S/C15H13ClO/c16-14-7-5-11(6-8-14)13-9-12-3-1-2-4-15(12)17-10-13/h1-8,13H,9-10H2
InChIKeyKAQBEAJGACFNDQ-UHFFFAOYSA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3,4-dihydro-2H-chromene?
The IUPAC name of 3-(4-chlorophenyl)-3,4-dihydro-2H-chromene (CID 500474) is 3-(4-chlorophenyl)-3,4-dihydro-2H-chromene.
What is the SMILES notation for 3-(4-chlorophenyl)-3,4-dihydro-2H-chromene?
The canonical SMILES for 3-(4-chlorophenyl)-3,4-dihydro-2H-chromene is Clc1ccc(C2COc3ccccc3C2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-3,4-dihydro-2H-chromene?
The InChIKey is KAQBEAJGACFNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO/c16-14-7-5-11(6-8-14)13-9-12-3-1-2-4-15(12)17-10-13/h1-8,13H,9-10H2.
What are the key properties of 3-(4-chlorophenyl)-3,4-dihydro-2H-chromene?
3-(4-chlorophenyl)-3,4-dihydro-2H-chromene has a molecular weight of 244.72 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 500474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).