[2-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanol

C20H19BrO3 — CID 1315850

IUPAC[2-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanol
SMILESCCOc1cc(CO)c(Br)cc1OCc1cccc2ccccc12
InChIInChI=1S/C20H19BrO3/c1-2-23-19-10-16(12-22)18(21)11-20(19)24-13-15-8-5-7-14-6-3-4-9-17(14)15/h3-11,22H,2,12-13H2,1H3
InChIKeyBSUMHZDSYXHSBK-UHFFFAOYSA-N
MW387.27 g/mol
LogP5.07
Rot. Bonds6

About [2-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanol

[2-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanol (PubChem CID 1315850) has the molecular formula C20H19BrO3 and a molecular weight of 387.27 g/mol. Its IUPAC name is [2-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanol.

Molecular Properties

Compound Name[2-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanol
PubChem CID1315850
Molecular FormulaC20H19BrO3
Molecular Weight387.27 g/mol
Exact Mass386.05
IUPAC Name[2-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanol
SMILESCCOc1cc(CO)c(Br)cc1OCc1cccc2ccccc12
InChIInChI=1S/C20H19BrO3/c1-2-23-19-10-16(12-22)18(21)11-20(19)24-13-15-8-5-7-14-6-3-4-9-17(14)15/h3-11,22H,2,12-13H2,1H3
InChIKeyBSUMHZDSYXHSBK-UHFFFAOYSA-N
XLogP5.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.27
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)benzaldehyde
CID 21211267
(2-bromo-5-ethoxy-4-methoxyphenyl)methanol
CID 893488
(NE)-N-[[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydroxylamine
CID 6898110
(5E)-5-[[2-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126130367
ethyl 2-[5-bromo-2-ethoxy-4-(hydroxymethyl)phenoxy]acetate
CID 45371599
(6-ethoxy-7-methoxynaphthalen-1-yl)methanol;hydrochloride
CID 172703770
(2S)-2-[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]-5-phenyl-2,3-dihydro-1,3,4-thiadiazole
CID 126168108
(1S)-1-[2-(naphthalen-1-ylmethoxy)phenyl]ethanol
CID 78933829
ethyl 4-methoxy-3-(naphthalen-1-ylmethoxy)benzoate
CID 91682838
3-chloro-5-ethoxy-4-(naphthalen-1-ylmethoxy)benzoic acid
CID 8707119
2-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylamino]ethanol
CID 66532238
naphthalen-1-ylmethyl 3-ethoxy-4-methoxybenzoate
CID 7906497

Frequently Asked Questions

What is the IUPAC name of [2-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanol?
The IUPAC name of [2-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanol (CID 1315850) is [2-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanol.
What is the SMILES notation for [2-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanol?
The canonical SMILES for [2-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanol is CCOc1cc(CO)c(Br)cc1OCc1cccc2ccccc12.
What is the InChIKey of [2-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanol?
The InChIKey is BSUMHZDSYXHSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrO3/c1-2-23-19-10-16(12-22)18(21)11-20(19)24-13-15-8-5-7-14-6-3-4-9-17(14)15/h3-11,22H,2,12-13H2,1H3.
What are the key properties of [2-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanol?
[2-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanol has a molecular weight of 387.27 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanol is sourced from PubChem (CID 1315850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).