[4-(2-chloroanilino)-2,3-dihydrochromen-4-yl]methanol

C16H16ClNO2 — CID 61047730

IUPAC[4-(2-chloroanilino)-2,3-dihydrochromen-4-yl]methanol
SMILESOCC1(Nc2ccccc2Cl)CCOc2ccccc21
InChIInChI=1S/C16H16ClNO2/c17-13-6-2-3-7-14(13)18-16(11-19)9-10-20-15-8-4-1-5-12(15)16/h1-8,18-19H,9-11H2
InChIKeyVXOVTPGFBPUUSD-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.42
Rot. Bonds3

About [4-(2-chloroanilino)-2,3-dihydrochromen-4-yl]methanol

[4-(2-chloroanilino)-2,3-dihydrochromen-4-yl]methanol (PubChem CID 61047730) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is [4-(2-chloroanilino)-2,3-dihydrochromen-4-yl]methanol.

Molecular Properties

Compound Name[4-(2-chloroanilino)-2,3-dihydrochromen-4-yl]methanol
PubChem CID61047730
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name[4-(2-chloroanilino)-2,3-dihydrochromen-4-yl]methanol
SMILESOCC1(Nc2ccccc2Cl)CCOc2ccccc21
InChIInChI=1S/C16H16ClNO2/c17-13-6-2-3-7-14(13)18-16(11-19)9-10-20-15-8-4-1-5-12(15)16/h1-8,18-19H,9-11H2
InChIKeyVXOVTPGFBPUUSD-UHFFFAOYSA-N
XLogP3.42
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2-chloroanilino)-2,3-dihydrochromen-4-yl]methanol?
The IUPAC name of [4-(2-chloroanilino)-2,3-dihydrochromen-4-yl]methanol (CID 61047730) is [4-(2-chloroanilino)-2,3-dihydrochromen-4-yl]methanol.
What is the SMILES notation for [4-(2-chloroanilino)-2,3-dihydrochromen-4-yl]methanol?
The canonical SMILES for [4-(2-chloroanilino)-2,3-dihydrochromen-4-yl]methanol is OCC1(Nc2ccccc2Cl)CCOc2ccccc21.
What is the InChIKey of [4-(2-chloroanilino)-2,3-dihydrochromen-4-yl]methanol?
The InChIKey is VXOVTPGFBPUUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c17-13-6-2-3-7-14(13)18-16(11-19)9-10-20-15-8-4-1-5-12(15)16/h1-8,18-19H,9-11H2.
What are the key properties of [4-(2-chloroanilino)-2,3-dihydrochromen-4-yl]methanol?
[4-(2-chloroanilino)-2,3-dihydrochromen-4-yl]methanol has a molecular weight of 289.76 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chloroanilino)-2,3-dihydrochromen-4-yl]methanol is sourced from PubChem (CID 61047730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).