[4-(3-fluoro-5-methylanilino)-2,3-dihydrochromen-4-yl]methanol

C17H18FNO2 — CID 79046380

IUPAC[4-(3-fluoro-5-methylanilino)-2,3-dihydrochromen-4-yl]methanol
SMILESCc1cc(F)cc(NC2(CO)CCOc3ccccc32)c1
InChIInChI=1S/C17H18FNO2/c1-12-8-13(18)10-14(9-12)19-17(11-20)6-7-21-16-5-3-2-4-15(16)17/h2-5,8-10,19-20H,6-7,11H2,1H3
InChIKeyAKBASBKLBNZNPQ-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.22
Rot. Bonds3

About [4-(3-fluoro-5-methylanilino)-2,3-dihydrochromen-4-yl]methanol

[4-(3-fluoro-5-methylanilino)-2,3-dihydrochromen-4-yl]methanol (PubChem CID 79046380) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is [4-(3-fluoro-5-methylanilino)-2,3-dihydrochromen-4-yl]methanol.

Molecular Properties

Compound Name[4-(3-fluoro-5-methylanilino)-2,3-dihydrochromen-4-yl]methanol
PubChem CID79046380
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name[4-(3-fluoro-5-methylanilino)-2,3-dihydrochromen-4-yl]methanol
SMILESCc1cc(F)cc(NC2(CO)CCOc3ccccc32)c1
InChIInChI=1S/C17H18FNO2/c1-12-8-13(18)10-14(9-12)19-17(11-20)6-7-21-16-5-3-2-4-15(16)17/h2-5,8-10,19-20H,6-7,11H2,1H3
InChIKeyAKBASBKLBNZNPQ-UHFFFAOYSA-N
XLogP3.22
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(3-fluoro-5-methylanilino)-2,3-dihydrochromen-4-yl]methanol?
The IUPAC name of [4-(3-fluoro-5-methylanilino)-2,3-dihydrochromen-4-yl]methanol (CID 79046380) is [4-(3-fluoro-5-methylanilino)-2,3-dihydrochromen-4-yl]methanol.
What is the SMILES notation for [4-(3-fluoro-5-methylanilino)-2,3-dihydrochromen-4-yl]methanol?
The canonical SMILES for [4-(3-fluoro-5-methylanilino)-2,3-dihydrochromen-4-yl]methanol is Cc1cc(F)cc(NC2(CO)CCOc3ccccc32)c1.
What is the InChIKey of [4-(3-fluoro-5-methylanilino)-2,3-dihydrochromen-4-yl]methanol?
The InChIKey is AKBASBKLBNZNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-12-8-13(18)10-14(9-12)19-17(11-20)6-7-21-16-5-3-2-4-15(16)17/h2-5,8-10,19-20H,6-7,11H2,1H3.
What are the key properties of [4-(3-fluoro-5-methylanilino)-2,3-dihydrochromen-4-yl]methanol?
[4-(3-fluoro-5-methylanilino)-2,3-dihydrochromen-4-yl]methanol has a molecular weight of 287.33 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluoro-5-methylanilino)-2,3-dihydrochromen-4-yl]methanol is sourced from PubChem (CID 79046380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).