(2S,3R)-2-[(3-fluorophenyl)methyl]-2-methyl-3H-1-benzofuran-3-ol

C16H15FO2 — CID 175659373

IUPAC(2S,3R)-2-[(3-fluorophenyl)methyl]-2-methyl-3H-1-benzofuran-3-ol
SMILESC[C@@]1(Cc2cccc(F)c2)Oc2ccccc2[C@H]1O
InChIInChI=1S/C16H15FO2/c1-16(10-11-5-4-6-12(17)9-11)15(18)13-7-2-3-8-14(13)19-16/h2-9,15,18H,10H2,1H3/t15-,16+/m1/s1
InChIKeyPMVMKOIUCFQVCC-CVEARBPZSA-N
MW258.29 g/mol
LogP3.25
Rot. Bonds2

About (2S,3R)-2-[(3-fluorophenyl)methyl]-2-methyl-3H-1-benzofuran-3-ol

(2S,3R)-2-[(3-fluorophenyl)methyl]-2-methyl-3H-1-benzofuran-3-ol (PubChem CID 175659373) has the molecular formula C16H15FO2 and a molecular weight of 258.29 g/mol. Its IUPAC name is (2S,3R)-2-[(3-fluorophenyl)methyl]-2-methyl-3H-1-benzofuran-3-ol.

Molecular Properties

Compound Name(2S,3R)-2-[(3-fluorophenyl)methyl]-2-methyl-3H-1-benzofuran-3-ol
PubChem CID175659373
Molecular FormulaC16H15FO2
Molecular Weight258.29 g/mol
Exact Mass258.11
IUPAC Name(2S,3R)-2-[(3-fluorophenyl)methyl]-2-methyl-3H-1-benzofuran-3-ol
SMILESC[C@@]1(Cc2cccc(F)c2)Oc2ccccc2[C@H]1O
InChIInChI=1S/C16H15FO2/c1-16(10-11-5-4-6-12(17)9-11)15(18)13-7-2-3-8-14(13)19-16/h2-9,15,18H,10H2,1H3/t15-,16+/m1/s1
InChIKeyPMVMKOIUCFQVCC-CVEARBPZSA-N
XLogP3.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 114714156
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CID 104523924
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N-[(3-fluorophenyl)methyl]-N-methyl-9H-xanthene-9-carboxamide
CID 9094452
2-[(3-fluorophenyl)methyl-methylamino]cyclohexan-1-ol
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CID 61222650
3-[(dimethylamino)methyl]-4-[(3-fluorophenyl)methyl]-4-[(4-fluorophenyl)methyl]cyclohexan-1-ol
CID 69134527
2-[(3-fluorophenyl)methyl]-2-methyl-1,3-thiazinane
CID 114834360
2-ethyl-2-[(3-fluorophenyl)methyl]azetidine
CID 115058779
2-[(3-fluorophenyl)methyl]-2,4,4-trimethyl-1,3-thiazolidine
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4-[(3-fluorophenyl)methyl]-2,3-dihydrochromene-4-carboxylic acid
CID 65409083
2,2-bis(3-fluorophenyl)cyclopropan-1-ol;N-methyl-1-phenylmethanamine;hydrochloride
CID 19364520

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[(3-fluorophenyl)methyl]-2-methyl-3H-1-benzofuran-3-ol?
The IUPAC name of (2S,3R)-2-[(3-fluorophenyl)methyl]-2-methyl-3H-1-benzofuran-3-ol (CID 175659373) is (2S,3R)-2-[(3-fluorophenyl)methyl]-2-methyl-3H-1-benzofuran-3-ol.
What is the SMILES notation for (2S,3R)-2-[(3-fluorophenyl)methyl]-2-methyl-3H-1-benzofuran-3-ol?
The canonical SMILES for (2S,3R)-2-[(3-fluorophenyl)methyl]-2-methyl-3H-1-benzofuran-3-ol is C[C@@]1(Cc2cccc(F)c2)Oc2ccccc2[C@H]1O.
What is the InChIKey of (2S,3R)-2-[(3-fluorophenyl)methyl]-2-methyl-3H-1-benzofuran-3-ol?
The InChIKey is PMVMKOIUCFQVCC-CVEARBPZSA-N. The full InChI is InChI=1S/C16H15FO2/c1-16(10-11-5-4-6-12(17)9-11)15(18)13-7-2-3-8-14(13)19-16/h2-9,15,18H,10H2,1H3/t15-,16+/m1/s1.
What are the key properties of (2S,3R)-2-[(3-fluorophenyl)methyl]-2-methyl-3H-1-benzofuran-3-ol?
(2S,3R)-2-[(3-fluorophenyl)methyl]-2-methyl-3H-1-benzofuran-3-ol has a molecular weight of 258.29 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[(3-fluorophenyl)methyl]-2-methyl-3H-1-benzofuran-3-ol is sourced from PubChem (CID 175659373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).