3-benzyl-6-chloro-3,4-dihydro-2H-chromene

C16H15ClO — CID 45269837

IUPAC3-benzyl-6-chloro-3,4-dihydro-2H-chromene
SMILESClc1ccc2c(c1)CC(Cc1ccccc1)CO2
InChIInChI=1S/C16H15ClO/c17-15-6-7-16-14(10-15)9-13(11-18-16)8-12-4-2-1-3-5-12/h1-7,10,13H,8-9,11H2
InChIKeyREVYZDNHPARBIL-UHFFFAOYSA-N
MW258.75 g/mol
LogP4.13
Rot. Bonds2

About 3-benzyl-6-chloro-3,4-dihydro-2H-chromene

3-benzyl-6-chloro-3,4-dihydro-2H-chromene (PubChem CID 45269837) has the molecular formula C16H15ClO and a molecular weight of 258.75 g/mol. Its IUPAC name is 3-benzyl-6-chloro-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name3-benzyl-6-chloro-3,4-dihydro-2H-chromene
PubChem CID45269837
Molecular FormulaC16H15ClO
Molecular Weight258.75 g/mol
Exact Mass258.08
IUPAC Name3-benzyl-6-chloro-3,4-dihydro-2H-chromene
SMILESClc1ccc2c(c1)CC(Cc1ccccc1)CO2
InChIInChI=1S/C16H15ClO/c17-15-6-7-16-14(10-15)9-13(11-18-16)8-12-4-2-1-3-5-12/h1-7,10,13H,8-9,11H2
InChIKeyREVYZDNHPARBIL-UHFFFAOYSA-N
XLogP4.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-chloro-3,4-dihydro-2H-chromene?
The IUPAC name of 3-benzyl-6-chloro-3,4-dihydro-2H-chromene (CID 45269837) is 3-benzyl-6-chloro-3,4-dihydro-2H-chromene.
What is the SMILES notation for 3-benzyl-6-chloro-3,4-dihydro-2H-chromene?
The canonical SMILES for 3-benzyl-6-chloro-3,4-dihydro-2H-chromene is Clc1ccc2c(c1)CC(Cc1ccccc1)CO2.
What is the InChIKey of 3-benzyl-6-chloro-3,4-dihydro-2H-chromene?
The InChIKey is REVYZDNHPARBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO/c17-15-6-7-16-14(10-15)9-13(11-18-16)8-12-4-2-1-3-5-12/h1-7,10,13H,8-9,11H2.
What are the key properties of 3-benzyl-6-chloro-3,4-dihydro-2H-chromene?
3-benzyl-6-chloro-3,4-dihydro-2H-chromene has a molecular weight of 258.75 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-chloro-3,4-dihydro-2H-chromene is sourced from PubChem (CID 45269837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).