[2-(1-bromonaphthalen-2-yl)oxy-4-chlorophenyl]methanol

C17H12BrClO2 — CID 114846123

IUPAC[2-(1-bromonaphthalen-2-yl)oxy-4-chlorophenyl]methanol
SMILESOCc1ccc(Cl)cc1Oc1ccc2ccccc2c1Br
InChIInChI=1S/C17H12BrClO2/c18-17-14-4-2-1-3-11(14)6-8-15(17)21-16-9-13(19)7-5-12(16)10-20/h1-9,20H,10H2
InChIKeyXMWCDKCWOYGFON-UHFFFAOYSA-N
MW363.64 g/mol
LogP5.54
Rot. Bonds3

About [2-(1-bromonaphthalen-2-yl)oxy-4-chlorophenyl]methanol

[2-(1-bromonaphthalen-2-yl)oxy-4-chlorophenyl]methanol (PubChem CID 114846123) has the molecular formula C17H12BrClO2 and a molecular weight of 363.64 g/mol. Its IUPAC name is [2-(1-bromonaphthalen-2-yl)oxy-4-chlorophenyl]methanol.

Molecular Properties

Compound Name[2-(1-bromonaphthalen-2-yl)oxy-4-chlorophenyl]methanol
PubChem CID114846123
Molecular FormulaC17H12BrClO2
Molecular Weight363.64 g/mol
Exact Mass361.97
IUPAC Name[2-(1-bromonaphthalen-2-yl)oxy-4-chlorophenyl]methanol
SMILESOCc1ccc(Cl)cc1Oc1ccc2ccccc2c1Br
InChIInChI=1S/C17H12BrClO2/c18-17-14-4-2-1-3-11(14)6-8-15(17)21-16-9-13(19)7-5-12(16)10-20/h1-9,20H,10H2
InChIKeyXMWCDKCWOYGFON-UHFFFAOYSA-N
XLogP5.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.64
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-2-naphthalen-1-yloxyphenyl)methanol
CID 43174100
[4-chloro-2-(4-chlorophenoxy)phenyl]methanol
CID 86078233
2-(1-bromonaphthalen-2-yl)oxy-3,5,6-trichloropyridine
CID 102749474
5-bromo-2-(1-bromonaphthalen-2-yl)oxyaniline
CID 63457779
5-chloro-2-[2-(hydroxymethyl)phenoxy]benzoic acid
CID 63652911
4-bromo-2-(1-bromonaphthalen-2-yl)oxybenzonitrile
CID 114902438
2-(1-bromonaphthalen-2-yl)oxy-5-iodoaniline
CID 66081956
2-[5-chloro-2-(hydroxymethyl)phenoxy]-6-fluorobenzonitrile
CID 114846109
[5-chloro-2-(2-methoxyphenoxy)phenyl]methanol
CID 114846046
4-chloro-2-[2-(hydroxymethyl)phenoxy]benzoic acid
CID 63681354
[4-chloro-2-(2-chloro-6-nitrophenoxy)phenyl]methanol
CID 107717309
1-chloro-2-(1-chloronaphthalen-2-yl)oxynaphthalene
CID 176912299

Frequently Asked Questions

What is the IUPAC name of [2-(1-bromonaphthalen-2-yl)oxy-4-chlorophenyl]methanol?
The IUPAC name of [2-(1-bromonaphthalen-2-yl)oxy-4-chlorophenyl]methanol (CID 114846123) is [2-(1-bromonaphthalen-2-yl)oxy-4-chlorophenyl]methanol.
What is the SMILES notation for [2-(1-bromonaphthalen-2-yl)oxy-4-chlorophenyl]methanol?
The canonical SMILES for [2-(1-bromonaphthalen-2-yl)oxy-4-chlorophenyl]methanol is OCc1ccc(Cl)cc1Oc1ccc2ccccc2c1Br.
What is the InChIKey of [2-(1-bromonaphthalen-2-yl)oxy-4-chlorophenyl]methanol?
The InChIKey is XMWCDKCWOYGFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrClO2/c18-17-14-4-2-1-3-11(14)6-8-15(17)21-16-9-13(19)7-5-12(16)10-20/h1-9,20H,10H2.
What are the key properties of [2-(1-bromonaphthalen-2-yl)oxy-4-chlorophenyl]methanol?
[2-(1-bromonaphthalen-2-yl)oxy-4-chlorophenyl]methanol has a molecular weight of 363.64 g/mol, XLogP of 5.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-bromonaphthalen-2-yl)oxy-4-chlorophenyl]methanol is sourced from PubChem (CID 114846123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).