(1S)-1-[1-[(3-bromothiophen-2-yl)methoxy]naphthalen-2-yl]ethanol

C17H15BrO2S — CID 63365579

IUPAC(1S)-1-[1-[(3-bromothiophen-2-yl)methoxy]naphthalen-2-yl]ethanol
SMILESC[C@H](O)c1ccc2ccccc2c1OCc1sccc1Br
InChIInChI=1S/C17H15BrO2S/c1-11(19)13-7-6-12-4-2-3-5-14(12)17(13)20-10-16-15(18)8-9-21-16/h2-9,11,19H,10H2,1H3/t11-/m0/s1
InChIKeyXXHDZAFZIAWBMN-NSHDSACASA-N
MW363.28 g/mol
LogP5.30
Rot. Bonds4

About (1S)-1-[1-[(3-bromothiophen-2-yl)methoxy]naphthalen-2-yl]ethanol

(1S)-1-[1-[(3-bromothiophen-2-yl)methoxy]naphthalen-2-yl]ethanol (PubChem CID 63365579) has the molecular formula C17H15BrO2S and a molecular weight of 363.28 g/mol. Its IUPAC name is (1S)-1-[1-[(3-bromothiophen-2-yl)methoxy]naphthalen-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[1-[(3-bromothiophen-2-yl)methoxy]naphthalen-2-yl]ethanol
PubChem CID63365579
Molecular FormulaC17H15BrO2S
Molecular Weight363.28 g/mol
Exact Mass362.00
IUPAC Name(1S)-1-[1-[(3-bromothiophen-2-yl)methoxy]naphthalen-2-yl]ethanol
SMILESC[C@H](O)c1ccc2ccccc2c1OCc1sccc1Br
InChIInChI=1S/C17H15BrO2S/c1-11(19)13-7-6-12-4-2-3-5-14(12)17(13)20-10-16-15(18)8-9-21-16/h2-9,11,19H,10H2,1H3/t11-/m0/s1
InChIKeyXXHDZAFZIAWBMN-NSHDSACASA-N
XLogP5.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.28
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(3-bromothiophen-2-yl)methoxy]-4-methylphenyl]ethanol
CID 63651959
(1S)-1-[1-(pyrimidin-2-ylmethoxy)naphthalen-2-yl]ethanol
CID 63365341
(1S)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-methylphenyl]ethanol
CID 78934170
3-bromo-2-[(2-propan-2-ylphenoxy)methyl]thiophene
CID 63459035
(1R)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chlorophenyl]ethanol
CID 78931079
(1R)-1-[1-(2-fluoroethoxy)naphthalen-2-yl]ethanol
CID 80694280
1-[1-(2-methoxyethoxy)naphthalen-2-yl]ethanol
CID 43504354
(1R)-1-[3-[(3-bromothiophen-2-yl)methoxy]phenyl]ethanol
CID 63365571
(1R)-1-[1-(2-methylbutoxy)naphthalen-2-yl]ethanol
CID 63365584
1-(1-propan-2-yloxynaphthalen-2-yl)ethanol
CID 43504390
1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]naphthalen-2-yl]ethanol
CID 43504376
(1S)-1-(1-butan-2-yloxynaphthalen-2-yl)ethanol
CID 63365420

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-[(3-bromothiophen-2-yl)methoxy]naphthalen-2-yl]ethanol?
The IUPAC name of (1S)-1-[1-[(3-bromothiophen-2-yl)methoxy]naphthalen-2-yl]ethanol (CID 63365579) is (1S)-1-[1-[(3-bromothiophen-2-yl)methoxy]naphthalen-2-yl]ethanol.
What is the SMILES notation for (1S)-1-[1-[(3-bromothiophen-2-yl)methoxy]naphthalen-2-yl]ethanol?
The canonical SMILES for (1S)-1-[1-[(3-bromothiophen-2-yl)methoxy]naphthalen-2-yl]ethanol is C[C@H](O)c1ccc2ccccc2c1OCc1sccc1Br.
What is the InChIKey of (1S)-1-[1-[(3-bromothiophen-2-yl)methoxy]naphthalen-2-yl]ethanol?
The InChIKey is XXHDZAFZIAWBMN-NSHDSACASA-N. The full InChI is InChI=1S/C17H15BrO2S/c1-11(19)13-7-6-12-4-2-3-5-14(12)17(13)20-10-16-15(18)8-9-21-16/h2-9,11,19H,10H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-[1-[(3-bromothiophen-2-yl)methoxy]naphthalen-2-yl]ethanol?
(1S)-1-[1-[(3-bromothiophen-2-yl)methoxy]naphthalen-2-yl]ethanol has a molecular weight of 363.28 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-[(3-bromothiophen-2-yl)methoxy]naphthalen-2-yl]ethanol is sourced from PubChem (CID 63365579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).