(4S)-6-fluoro-2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol

C17H17FO3 — CID 104948044

IUPAC(4S)-6-fluoro-2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol
SMILESCOCc1ccccc1C1C[C@H](O)c2cc(F)ccc2O1
InChIInChI=1S/C17H17FO3/c1-20-10-11-4-2-3-5-13(11)17-9-15(19)14-8-12(18)6-7-16(14)21-17/h2-8,15,17,19H,9-10H2,1H3/t15-,17?/m0/s1
InChIKeyHSECZVMOEDSEPO-MYJWUSKBSA-N
MW288.32 g/mol
LogP3.53
Rot. Bonds3

About (4S)-6-fluoro-2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol

(4S)-6-fluoro-2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104948044) has the molecular formula C17H17FO3 and a molecular weight of 288.32 g/mol. Its IUPAC name is (4S)-6-fluoro-2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4S)-6-fluoro-2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol
PubChem CID104948044
Molecular FormulaC17H17FO3
Molecular Weight288.32 g/mol
Exact Mass288.12
IUPAC Name(4S)-6-fluoro-2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol
SMILESCOCc1ccccc1C1C[C@H](O)c2cc(F)ccc2O1
InChIInChI=1S/C17H17FO3/c1-20-10-11-4-2-3-5-13(11)17-9-15(19)14-8-12(18)6-7-16(14)21-17/h2-8,15,17,19H,9-10H2,1H3/t15-,17?/m0/s1
InChIKeyHSECZVMOEDSEPO-MYJWUSKBSA-N
XLogP3.53
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-6-fluoro-2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4S)-6-fluoro-2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol (CID 104948044) is (4S)-6-fluoro-2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4S)-6-fluoro-2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4S)-6-fluoro-2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol is COCc1ccccc1C1C[C@H](O)c2cc(F)ccc2O1.
What is the InChIKey of (4S)-6-fluoro-2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is HSECZVMOEDSEPO-MYJWUSKBSA-N. The full InChI is InChI=1S/C17H17FO3/c1-20-10-11-4-2-3-5-13(11)17-9-15(19)14-8-12(18)6-7-16(14)21-17/h2-8,15,17,19H,9-10H2,1H3/t15-,17?/m0/s1.
What are the key properties of (4S)-6-fluoro-2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol?
(4S)-6-fluoro-2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 288.32 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-fluoro-2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104948044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).